PubChem CID | 31253 |
Molecular Formula | C10H16 |
Structure |
![]() |
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 |
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 |
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 |