(1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol

C9H14O — CID 94037696

IUPAC(1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol
SMILESC=C[C@]1(O)C=C(C)CCC1
InChIInChI=1S/C9H14O/c1-3-9(10)6-4-5-8(2)7-9/h3,7,10H,1,4-6H2,2H3/t9-/m1/s1
InChIKeyVETXXJZMVVPTTA-SECBINFHSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds1

About (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol

(1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol (PubChem CID 94037696) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol
PubChem CID94037696
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol
SMILESC=C[C@]1(O)C=C(C)CCC1
InChIInChI=1S/C9H14O/c1-3-9(10)6-4-5-8(2)7-9/h3,7,10H,1,4-6H2,2H3/t9-/m1/s1
InChIKeyVETXXJZMVVPTTA-SECBINFHSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol (CID 94037696) is (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol is C=C[C@]1(O)C=C(C)CCC1.
What is the InChIKey of (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol?
The InChIKey is VETXXJZMVVPTTA-SECBINFHSA-N. The full InChI is InChI=1S/C9H14O/c1-3-9(10)6-4-5-8(2)7-9/h3,7,10H,1,4-6H2,2H3/t9-/m1/s1.
What are the key properties of (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol?
(1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 94037696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).