Limonene, (-)-


PubChem CID 439250
Molecular Formula C10H16
Structure Compound Image
Synonyms
(-)-Limonene
5989-54-8
l-Limonene
(S)-(-)-Limonene
(S)-Limonene
(S)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
beta-Limonene
(-)-(4S)-Limonene
Limonene, L-
(4S)-limonene
S-(-)-Limonene
Limonene, (-)-
P-Mentha-1,8-diene, (S)-(-)-
(-)-(S)-Limonene
UNII-47MAJ1Y2NE
47MAJ1Y2NE
(S)-p-Mentha-1,8-diene
(-)-p-Mentha-1,8-diene
(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (4S)-
(S)-(?)-Limonene
EINECS 227-815-6
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-
AI3-25390
DTXSID6047078
CHEBI:15383
EC 227-815-6
1-Methyl-4-(1-methylethenyl)cyclohexene, (S)-
MFCD00001558
S(-)-Limonene; (4S)-4-Isopropenyl-1-methyl-cyclohexene
L-Limonen
(4S)-1-methyl-4-prop-1-en-2-ylcyclohexene
(-)-Carvene
I-LIMONENE
4alphaH-p-mentha-1,8-diene
(-)-LIMONENE [FCC]
CHEMBL236688
DTXCID4027078
(S)-(-)-Limonene, 96%
(S)-(-)-p-mentha-1,8-diene
HY-Z0478
Tox21_302295
s6055
AKOS016844135
LMPR0102090002
(4S)-4-isopropenyl-1-methylcyclohexene
(S)-(-)-Limonene, analytical standard
(S)-(-)-Limonene, >=95%, FG
(S)-4-Isopropenyl-1-methyl cyclohexene
4-Isopropenyl-1-methyl-1-cyclohexene #
NCGC00256073-01
AS-75559
CAS-5989-54-8
1ST162195
(4S)-1-methyl-4-isopropenylcyclohex-1-ene
CS-0014283
L0132
NS00075670
(S)-1-methyl-4-(1-methylethenyl)cyclohexene
C00521
EN300-196159
F20308
SBI-0635555.0002
(4S)-1-Methyl-4-(prop-1-en-2-yl)cyclohexene
(S)-(-)-1-methyl-4-(1-methylethenyl)cyclohexene
W-110076
Q27089405
Z1255430958
(S)-(-)-Limonene, purum, >=95.0% (sum of enantiomers, GC)
9IU

Computed Descriptors


IUPAC Name (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILES CC1=CC[C@H](CC1)C(=C)C
Canonical SMILES CC1=CCC(CC1)C(=C)C
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
InChIKey XMGQYMWWDOXHJM-SNVBAGLBSA-N

Computed Properties

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Molecular Weight 136.23 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 136.125
Monoisotopic Mass 136.125
Topological Polar Surface Area 0
Heavy Atom Count 10
Formal Charge 0
Complexity 163
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

2 pairs of Verified P450 and Limonene, (-)-


Insect Gene Symbol Validation Reference
Dendroctonus ponderosae CYP6DJ1 X
Dendroctonus ponderosae CYP345E2 E