Myrcene


PubChem CID 31253
Molecular Formula C10H16
Structure Compound Image
Synonyms
MYRCENE
123-35-3
beta-Myrcene
7-Methyl-3-methyleneocta-1,6-diene
7-Methyl-3-methylene-1,6-octadiene
1,6-Octadiene, 7-methyl-3-methylene-
.beta.-Myrcene
7-methyl-3-methylideneocta-1,6-diene
beta-geraniolene
Myrcene (natural)
FEMA No. 2762
2-Methyl-6-methylene-2,7-octadiene
b-Myrcene
3-Methylene-7-methyl-1,6-octadiene
.beta.-Geraniolene
CCRIS 3725
NSC 406264
HSDB 1258
beta -myrcene
EINECS 204-622-5
UNII-3M39CZS25B
NSC-406264
BRN 1719990
3M39CZS25B
DTXSID6025692
CHEBI:17221
AI3-00738
MFCD00008908
7-Methyl-3-methylene-octa-1,6-diene
DTXCID205692
Myrcene (stabilized with BHT)
EC 204-622-5
4-01-00-01108 (Beilstein Handbook Reference)
7-Methyl-3-methyleneoctadiene-(1,6)
b-Myrcene (>90%)
beta-Myrcene 1000 microg/mL in Isopropanol
b-Geraniolene
beta -mircene
Myrcene, .beta.-
MYRCENE [FHFI]
MYRCENE [HSDB]
Myrcene, technical grade
?-MYRCENE
MYRCENE [FCC]
beta-MYRCENE (IARC)
Myrcene analytical standard
?-Myrcene (>90%)
Myrcene, analytical standard
FEMA NUMBER 2762
1, 7-methyl-3-methylene-
.BETA.-MYRCENE [MI]
CHEMBL455491
.BETA.-MYRCENE [IARC]
FEMA 2762
Methyl-3-methylene-1,6-octadiene
Methyl-6-methylene-2,7-octadiene
Methylene-7-methyl-1,6-octadiene
Octadiene, 7-methyl-3-methylene-
HY-N0803
WLN: 1Y1&U3YU1&1U1
Tox21_300351
BBL036906
NSC406264
STL477735
AKOS015904015
3-Methylene-7-methyl-1, 6-octadiene
LMPR0102010005
7-methyl-3-methylidene-octa-1,6-diene
Mycrene 1000 microg/mL in Isopropanol
Myrcene 1000 microg/mL in Isopropanol
NCGC00091420-01
NCGC00091420-02
NCGC00254252-01
CAS-123-35-3
Myrcene, >=95%, stabilized, FCC, FG
VS-13772
M0235
NS00005804
7-Methyl-3-methylene-1,6-octadiene (myrcene)
C06074
E80785
EN300-187797
A805060
Myrcene, primary pharmaceutical reference standard
Q424577
Q-201417
7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)
InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H
29463-45-4
N6Q

Computed Descriptors


IUPAC Name 7-methyl-3-methylideneocta-1,6-diene
SMILES CC(=CCCC(=C)C=C)C
Canonical SMILES CC(=CCCC(=C)C=C)C
InChI InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
InChIKey UAHWPYUMFXYFJY-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 136.23 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 4
Exact Mass 136.125
Monoisotopic Mass 136.125
Topological Polar Surface Area 0
Heavy Atom Count 10
Formal Charge 0
Complexity 145
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

1 pairs of Verified P450 and Myrcene