1-hydroxycyclohexane-1-carbaldehyde

C7H12O2 — CID 12517167

IUPAC1-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1(O)CCCCC1
InChIInChI=1S/C7H12O2/c8-6-7(9)4-2-1-3-5-7/h6,9H,1-5H2
InChIKeyOLGCGYLUNYDEOV-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.88
Rot. Bonds1

About 1-hydroxycyclohexane-1-carbaldehyde

1-hydroxycyclohexane-1-carbaldehyde (PubChem CID 12517167) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-hydroxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxycyclohexane-1-carbaldehyde
PubChem CID12517167
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1(O)CCCCC1
InChIInChI=1S/C7H12O2/c8-6-7(9)4-2-1-3-5-7/h6,9H,1-5H2
InChIKeyOLGCGYLUNYDEOV-UHFFFAOYSA-N
XLogP0.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-2-methylcyclohexan-1-one
CID 12395949
Cyclohexylketol
CID 12556905
(2S)-2-cyclohexyl-2-hydroxyacetaldehyde
CID 12556906
(2R)-2-cyclohexyl-2-hydroxyacetaldehyde
CID 12556907
4-Fluoro-1-hydroxycyclohexane-1-carbaldehyde
CID 121280951
4,4-Difluoro-1-hydroxycyclohexane-1-carbaldehyde
CID 134421167
(2R)-2-hydroxy-2-methylcyclohexan-1-one
CID 12395950
1-Hydroxycyclohexaneacetaldehyde
CID 11423654
Cyclohexanepropanal, 1-hydroxy-
CID 45083153
1-(4'-Formyl-n-butyl)-1-cyclohexanol
CID 57574464
6-(1-Hydroxycyclohexyl)hexanal
CID 57574466
4-(1-Hydroxycyclohexyl)butanal
CID 57574468

Frequently Asked Questions

What is the IUPAC name of 1-hydroxycyclohexane-1-carbaldehyde?
The IUPAC name of 1-hydroxycyclohexane-1-carbaldehyde (CID 12517167) is 1-hydroxycyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-hydroxycyclohexane-1-carbaldehyde?
The canonical SMILES for 1-hydroxycyclohexane-1-carbaldehyde is O=CC1(O)CCCCC1.
What is the InChIKey of 1-hydroxycyclohexane-1-carbaldehyde?
The InChIKey is OLGCGYLUNYDEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-6-7(9)4-2-1-3-5-7/h6,9H,1-5H2.
What are the key properties of 1-hydroxycyclohexane-1-carbaldehyde?
1-hydroxycyclohexane-1-carbaldehyde has a molecular weight of 128.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 12517167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).