[4-(hydroxymethylidene)cyclohexyl]methanol

C8H14O2 — CID 170737570

IUPAC[4-(hydroxymethylidene)cyclohexyl]methanol
SMILESOC=C1CCC(CO)CC1
InChIInChI=1S/C8H14O2/c9-5-7-1-2-8(6-10)4-3-7/h5,8-10H,1-4,6H2/b7-5-
InChIKeyZKOFDHLJJQGRCO-ALCCZGGFSA-N
MW142.20 g/mol
LogP1.61
Rot. Bonds1

About [4-(hydroxymethylidene)cyclohexyl]methanol

[4-(hydroxymethylidene)cyclohexyl]methanol (PubChem CID 170737570) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [4-(hydroxymethylidene)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethylidene)cyclohexyl]methanol
PubChem CID170737570
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[4-(hydroxymethylidene)cyclohexyl]methanol
SMILESOC=C1CCC(CO)CC1
InChIInChI=1S/C8H14O2/c9-5-7-1-2-8(6-10)4-3-7/h5,8-10H,1-4,6H2/b7-5-
InChIKeyZKOFDHLJJQGRCO-ALCCZGGFSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [4-(hydroxymethylidene)cyclohexyl]methanol?
The IUPAC name of [4-(hydroxymethylidene)cyclohexyl]methanol (CID 170737570) is [4-(hydroxymethylidene)cyclohexyl]methanol.
What is the SMILES notation for [4-(hydroxymethylidene)cyclohexyl]methanol?
The canonical SMILES for [4-(hydroxymethylidene)cyclohexyl]methanol is OC=C1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethylidene)cyclohexyl]methanol?
The InChIKey is ZKOFDHLJJQGRCO-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-7-1-2-8(6-10)4-3-7/h5,8-10H,1-4,6H2/b7-5-.
What are the key properties of [4-(hydroxymethylidene)cyclohexyl]methanol?
[4-(hydroxymethylidene)cyclohexyl]methanol has a molecular weight of 142.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethylidene)cyclohexyl]methanol is sourced from PubChem (CID 170737570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).