1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol

C9H16O2 — CID 54599081

IUPAC1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol
SMILESOC/C=C\C1(O)CCCCC1
InChIInChI=1S/C9H16O2/c10-8-4-7-9(11)5-2-1-3-6-9/h4,7,10-11H,1-3,5-6,8H2/b7-4-
InChIKeyCJTNFKINCCTDIP-DAXSKMNVSA-N
MW156.23 g/mol
LogP1.23
Rot. Bonds2

About 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol

1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol (PubChem CID 54599081) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol
PubChem CID54599081
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol
SMILESOC/C=C\C1(O)CCCCC1
InChIInChI=1S/C9H16O2/c10-8-4-7-9(11)5-2-1-3-6-9/h4,7,10-11H,1-3,5-6,8H2/b7-4-
InChIKeyCJTNFKINCCTDIP-DAXSKMNVSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol (CID 54599081) is 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol is OC/C=C\C1(O)CCCCC1.
What is the InChIKey of 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol?
The InChIKey is CJTNFKINCCTDIP-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-4-7-9(11)5-2-1-3-6-9/h4,7,10-11H,1-3,5-6,8H2/b7-4-.
What are the key properties of 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol?
1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-hydroxyprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 54599081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).