[(1S,2S)-2-ethenylcyclohexyl]methanol

C9H16O — CID 22854364

IUPAC[(1S,2S)-2-ethenylcyclohexyl]methanol
SMILESC=C[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C9H16O/c1-2-8-5-3-4-6-9(8)7-10/h2,8-10H,1,3-7H2/t8-,9-/m1/s1
InChIKeyUTIXZVUFAVYIIY-RKDXNWHRSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds2

About [(1S,2S)-2-ethenylcyclohexyl]methanol

[(1S,2S)-2-ethenylcyclohexyl]methanol (PubChem CID 22854364) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1S,2S)-2-ethenylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-ethenylcyclohexyl]methanol
PubChem CID22854364
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1S,2S)-2-ethenylcyclohexyl]methanol
SMILESC=C[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C9H16O/c1-2-8-5-3-4-6-9(8)7-10/h2,8-10H,1,3-7H2/t8-,9-/m1/s1
InChIKeyUTIXZVUFAVYIIY-RKDXNWHRSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-ethenylcyclohexyl]methanol?
The IUPAC name of [(1S,2S)-2-ethenylcyclohexyl]methanol (CID 22854364) is [(1S,2S)-2-ethenylcyclohexyl]methanol.
What is the SMILES notation for [(1S,2S)-2-ethenylcyclohexyl]methanol?
The canonical SMILES for [(1S,2S)-2-ethenylcyclohexyl]methanol is C=C[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of [(1S,2S)-2-ethenylcyclohexyl]methanol?
The InChIKey is UTIXZVUFAVYIIY-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16O/c1-2-8-5-3-4-6-9(8)7-10/h2,8-10H,1,3-7H2/t8-,9-/m1/s1.
What are the key properties of [(1S,2S)-2-ethenylcyclohexyl]methanol?
[(1S,2S)-2-ethenylcyclohexyl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethenylcyclohexyl]methanol is sourced from PubChem (CID 22854364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).