2-(4-hydroxycyclohexyl)acetaldehyde

C8H14O2 — CID 57063699

IUPAC2-(4-hydroxycyclohexyl)acetaldehyde
SMILESO=CCC1CCC(O)CC1
InChIInChI=1S/C8H14O2/c9-6-5-7-1-3-8(10)4-2-7/h6-8,10H,1-5H2
InChIKeyFWXAHLLBJDQYEF-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)acetaldehyde

2-(4-hydroxycyclohexyl)acetaldehyde (PubChem CID 57063699) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)acetaldehyde
PubChem CID57063699
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(4-hydroxycyclohexyl)acetaldehyde
SMILESO=CCC1CCC(O)CC1
InChIInChI=1S/C8H14O2/c9-6-5-7-1-3-8(10)4-2-7/h6-8,10H,1-5H2
InChIKeyFWXAHLLBJDQYEF-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
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

4-Hydroxycyclohexylacetic acid
CID 12702257
3-(4-Hydroxycyclohexyl)propanoic acid
CID 349189
2-Hydroxycyclohexanecarbaldehyde
CID 487881
4-(Hydroxymethyl)cyclohexanecarbaldehyde
CID 523023
Cyclohexylketol
CID 12556905
1-(4-Hydroxycyclohexyl)propan-2-one
CID 11126509
(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 11286714
(2S)-2-cyclohexyl-2-hydroxyacetaldehyde
CID 12556906
(2R)-2-cyclohexyl-2-hydroxyacetaldehyde
CID 12556907
4-(2-Hydroxyethyl)cyclohexan-1-one
CID 15700392
(2S,3R)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 87609085
rel-(1R,2R)-2-Hydroxycyclohexanecarboxaldehyde
CID 101255922

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)acetaldehyde?
The IUPAC name of 2-(4-hydroxycyclohexyl)acetaldehyde (CID 57063699) is 2-(4-hydroxycyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)acetaldehyde?
The canonical SMILES for 2-(4-hydroxycyclohexyl)acetaldehyde is O=CCC1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)acetaldehyde?
The InChIKey is FWXAHLLBJDQYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-5-7-1-3-8(10)4-2-7/h6-8,10H,1-5H2.
What are the key properties of 2-(4-hydroxycyclohexyl)acetaldehyde?
2-(4-hydroxycyclohexyl)acetaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)acetaldehyde is sourced from PubChem (CID 57063699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).