2-(2-methylidenecyclohexyl)acetaldehyde

C9H14O — CID 11344057

IUPAC2-(2-methylidenecyclohexyl)acetaldehyde
SMILESC=C1CCCCC1CC=O
InChIInChI=1S/C9H14O/c1-8-4-2-3-5-9(8)6-7-10/h7,9H,1-6H2
InChIKeyJIUZCJNGQAGLTF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-methylidenecyclohexyl)acetaldehyde

2-(2-methylidenecyclohexyl)acetaldehyde (PubChem CID 11344057) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2-methylidenecyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methylidenecyclohexyl)acetaldehyde
PubChem CID11344057
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(2-methylidenecyclohexyl)acetaldehyde
SMILESC=C1CCCCC1CC=O
InChIInChI=1S/C9H14O/c1-8-4-2-3-5-9(8)6-7-10/h7,9H,1-6H2
InChIKeyJIUZCJNGQAGLTF-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-methylidenecyclohexyl)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

(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
(2-methylidenecyclopentyl)methanol;hydrochloride
CID 142907473
N-methoxy-N-methyl-2-[(1R)-2-methylidenecyclohexyl]acetamide
CID 135001013
ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde
CID 176659806
1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene
CID 138616015
2-(4-methylideneoxolan-3-yl)acetaldehyde
CID 13113529
2-prop-2-enylcyclohexane-1-thione
CID 173030397
1-methylidene-2-(2-methylprop-2-enyl)cyclopentane
CID 13218167
2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546950
2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid
CID 122443590
2-methylidenecyclohexane-1-carboxylic acid
CID 14111060
2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine
CID 126599217

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenecyclohexyl)acetaldehyde?
The IUPAC name of 2-(2-methylidenecyclohexyl)acetaldehyde (CID 11344057) is 2-(2-methylidenecyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(2-methylidenecyclohexyl)acetaldehyde?
The canonical SMILES for 2-(2-methylidenecyclohexyl)acetaldehyde is C=C1CCCCC1CC=O.
What is the InChIKey of 2-(2-methylidenecyclohexyl)acetaldehyde?
The InChIKey is JIUZCJNGQAGLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-4-2-3-5-9(8)6-7-10/h7,9H,1-6H2.
What are the key properties of 2-(2-methylidenecyclohexyl)acetaldehyde?
2-(2-methylidenecyclohexyl)acetaldehyde has a molecular weight of 138.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenecyclohexyl)acetaldehyde is sourced from PubChem (CID 11344057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).