4-[(E)-prop-1-enyl]cyclohexan-1-ol

C9H16O — CID 14498680

IUPAC4-[(E)-prop-1-enyl]cyclohexan-1-ol
SMILESC/C=C/C1CCC(O)CC1
InChIInChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h2-3,8-10H,4-7H2,1H3/b3-2+
InChIKeyPSFJFPQFGDOPTI-NSCUHMNNSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds1

About 4-[(E)-prop-1-enyl]cyclohexan-1-ol

4-[(E)-prop-1-enyl]cyclohexan-1-ol (PubChem CID 14498680) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]cyclohexan-1-ol
PubChem CID14498680
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-[(E)-prop-1-enyl]cyclohexan-1-ol
SMILESC/C=C/C1CCC(O)CC1
InChIInChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h2-3,8-10H,4-7H2,1H3/b3-2+
InChIKeyPSFJFPQFGDOPTI-NSCUHMNNSA-N
XLogP2.11
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 ≤ 52.11
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 4-[(E)-prop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 4-[(E)-prop-1-enyl]cyclohexan-1-ol (CID 14498680) is 4-[(E)-prop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(E)-prop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(E)-prop-1-enyl]cyclohexan-1-ol is C/C=C/C1CCC(O)CC1.
What is the InChIKey of 4-[(E)-prop-1-enyl]cyclohexan-1-ol?
The InChIKey is PSFJFPQFGDOPTI-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h2-3,8-10H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]cyclohexan-1-ol?
4-[(E)-prop-1-enyl]cyclohexan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 14498680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).