(E)-2-[(1S)-2-methylcyclohexyl]ethenol

C9H16O — CID 173491373

IUPAC(E)-2-[(1S)-2-methylcyclohexyl]ethenol
SMILESCC1CCCC[C@@H]1/C=C/O
InChIInChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h6-10H,2-5H2,1H3/b7-6+/t8?,9-/m1/s1
InChIKeyHQDQEZUGGMTZLX-VCWSHSSXSA-N
MW140.23 g/mol
LogP2.88
Rot. Bonds1

About (E)-2-[(1S)-2-methylcyclohexyl]ethenol

(E)-2-[(1S)-2-methylcyclohexyl]ethenol (PubChem CID 173491373) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-2-[(1S)-2-methylcyclohexyl]ethenol.

Molecular Properties

Compound Name(E)-2-[(1S)-2-methylcyclohexyl]ethenol
PubChem CID173491373
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(E)-2-[(1S)-2-methylcyclohexyl]ethenol
SMILESCC1CCCC[C@@H]1/C=C/O
InChIInChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h6-10H,2-5H2,1H3/b7-6+/t8?,9-/m1/s1
InChIKeyHQDQEZUGGMTZLX-VCWSHSSXSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(1S)-2-methylcyclohexyl]ethenol?
The IUPAC name of (E)-2-[(1S)-2-methylcyclohexyl]ethenol (CID 173491373) is (E)-2-[(1S)-2-methylcyclohexyl]ethenol.
What is the SMILES notation for (E)-2-[(1S)-2-methylcyclohexyl]ethenol?
The canonical SMILES for (E)-2-[(1S)-2-methylcyclohexyl]ethenol is CC1CCCC[C@@H]1/C=C/O.
What is the InChIKey of (E)-2-[(1S)-2-methylcyclohexyl]ethenol?
The InChIKey is HQDQEZUGGMTZLX-VCWSHSSXSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h6-10H,2-5H2,1H3/b7-6+/t8?,9-/m1/s1.
What are the key properties of (E)-2-[(1S)-2-methylcyclohexyl]ethenol?
(E)-2-[(1S)-2-methylcyclohexyl]ethenol has a molecular weight of 140.23 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(1S)-2-methylcyclohexyl]ethenol is sourced from PubChem (CID 173491373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).