(1S,3E)-3-propylidenecyclohexan-1-ol

C9H16O — CID 88974984

IUPAC(1S,3E)-3-propylidenecyclohexan-1-ol
SMILESCC/C=C1\CCC[C@H](O)C1
InChIInChI=1S/C9H16O/c1-2-4-8-5-3-6-9(10)7-8/h4,9-10H,2-3,5-7H2,1H3/b8-4+/t9-/m0/s1
InChIKeyASHLDVZFFHBRBR-SGDMMICCSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds1

About (1S,3E)-3-propylidenecyclohexan-1-ol

(1S,3E)-3-propylidenecyclohexan-1-ol (PubChem CID 88974984) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,3E)-3-propylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3E)-3-propylidenecyclohexan-1-ol
PubChem CID88974984
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1S,3E)-3-propylidenecyclohexan-1-ol
SMILESCC/C=C1\CCC[C@H](O)C1
InChIInChI=1S/C9H16O/c1-2-4-8-5-3-6-9(10)7-8/h4,9-10H,2-3,5-7H2,1H3/b8-4+/t9-/m0/s1
InChIKeyASHLDVZFFHBRBR-SGDMMICCSA-N
XLogP2.26
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 ≤ 52.26
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,3E)-3-propylidenecyclohexan-1-ol?
The IUPAC name of (1S,3E)-3-propylidenecyclohexan-1-ol (CID 88974984) is (1S,3E)-3-propylidenecyclohexan-1-ol.
What is the SMILES notation for (1S,3E)-3-propylidenecyclohexan-1-ol?
The canonical SMILES for (1S,3E)-3-propylidenecyclohexan-1-ol is CC/C=C1\CCC[C@H](O)C1.
What is the InChIKey of (1S,3E)-3-propylidenecyclohexan-1-ol?
The InChIKey is ASHLDVZFFHBRBR-SGDMMICCSA-N. The full InChI is InChI=1S/C9H16O/c1-2-4-8-5-3-6-9(10)7-8/h4,9-10H,2-3,5-7H2,1H3/b8-4+/t9-/m0/s1.
What are the key properties of (1S,3E)-3-propylidenecyclohexan-1-ol?
(1S,3E)-3-propylidenecyclohexan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E)-3-propylidenecyclohexan-1-ol is sourced from PubChem (CID 88974984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).