(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene

C12H18 — CID 10607083

IUPAC(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
SMILESC=C[C@]1(C)CCC=C[C@H]1C(=C)C
InChIInChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8,11H,1-2,7,9H2,3-4H3/t11-,12+/m0/s1
InChIKeyBGDQCKOAZKTOFV-NWDGAFQWSA-N
MW162.28 g/mol
LogP3.72
Rot. Bonds2

About (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene

(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene (PubChem CID 10607083) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
PubChem CID10607083
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
SMILESC=C[C@]1(C)CCC=C[C@H]1C(=C)C
InChIInChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8,11H,1-2,7,9H2,3-4H3/t11-,12+/m0/s1
InChIKeyBGDQCKOAZKTOFV-NWDGAFQWSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(+-)-alpha-Pinene
CID 6654
1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
alpha-Pinene, (+)-
CID 82227
Limonene, (-)-
CID 439250
(-)-alpha-Pinene
CID 440968
3-Carene
CID 26049
Beta-Phellandrene
CID 11142
(+)-3-Carene
CID 443156
Beta-Bisabolene
CID 10104370
Elemene
CID 12309449
alpha-Bisabolene
CID 86597

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene?
The IUPAC name of (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene (CID 10607083) is (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene is C=C[C@]1(C)CCC=C[C@H]1C(=C)C.
What is the InChIKey of (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene?
The InChIKey is BGDQCKOAZKTOFV-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8,11H,1-2,7,9H2,3-4H3/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene?
(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 10607083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).