2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde

C10H18O2 — CID 114795129

IUPAC2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde
SMILESCCC1CCC(O)(CC=O)CC1
InChIInChI=1S/C10H18O2/c1-2-9-3-5-10(12,6-4-9)7-8-11/h8-9,12H,2-7H2,1H3
InChIKeyVUUCIZQNCCFZAD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde

2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde (PubChem CID 114795129) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde
PubChem CID114795129
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde
SMILESCCC1CCC(O)(CC=O)CC1
InChIInChI=1S/C10H18O2/c1-2-9-3-5-10(12,6-4-9)7-8-11/h8-9,12H,2-7H2,1H3
InChIKeyVUUCIZQNCCFZAD-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 11286714
Hydroxyisohexyl-3-cyclohexane carboxaldehyde
CID 87269184
3-Hydroxy-3,7,11,15-tetramethylhexadecanal
CID 87376628
(2S,3R)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 87609085
3-[4-(2-Hydroxy-2-methylpropyl)cyclohexyl]propanal
CID 155166872
(2R,3R)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 15727041
trans-(1S,2S)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde
CID 45083444
3-(1-Hydroxycyclohexyl)butanal
CID 130026418
cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde
CID 134993179
(2S,3S)-2-butyl-3-hydroxyheptanal
CID 139263531
2-[4-Hydroxy-4-(trifluoromethyl)cyclohexyl]acetaldehyde
CID 84734421
2-[1-Hydroxy-4-(trifluoromethyl)cyclohexyl]acetaldehyde
CID 114795294

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde?
The IUPAC name of 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde (CID 114795129) is 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde?
The canonical SMILES for 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde is CCC1CCC(O)(CC=O)CC1.
What is the InChIKey of 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde?
The InChIKey is VUUCIZQNCCFZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-9-3-5-10(12,6-4-9)7-8-11/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde?
2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde has a molecular weight of 170.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-hydroxycyclohexyl)acetaldehyde is sourced from PubChem (CID 114795129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).