2-chlorocyclohexane-1-carbaldehyde

C7H11ClO — CID 6432191

IUPAC2-chlorocyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1Cl
InChIInChI=1S/C7H11ClO/c8-7-4-2-1-3-6(7)5-9/h5-7H,1-4H2
InChIKeyKMRPGHDRZKCBOW-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.98
Rot. Bonds1

About 2-chlorocyclohexane-1-carbaldehyde

2-chlorocyclohexane-1-carbaldehyde (PubChem CID 6432191) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 2-chlorocyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-chlorocyclohexane-1-carbaldehyde
PubChem CID6432191
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name2-chlorocyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1Cl
InChIInChI=1S/C7H11ClO/c8-7-4-2-1-3-6(7)5-9/h5-7H,1-4H2
InChIKeyKMRPGHDRZKCBOW-UHFFFAOYSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chlorocyclohexane-1-carbaldehyde 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

Cyclohexanecarboxaldehyde, 1-chloro-
CID 6432657
2-Chloro-2-cyclohexylacetaldehyde
CID 21496414
2-Chloro-3-cyclohexylpropanal
CID 102366884
2-(2-Chloroethyl)cyclohexane-1-carbaldehyde
CID 175426885
3-Chloro-2-fluorocyclohexane-1-carbaldehyde
CID 44227999
2-Fluoro-6-chloro benzaldehyde
CID 88915349
trans-(2R,4R)-4-chloro-2-fluorocyclohexane-1-carbaldehyde
CID 146647381
(2S)-2-chloro-2-cyclohexylacetaldehyde
CID 12184146
4-Methyl-6-chlorohexanal
CID 13682608
3-Methyl-6-chlorohexanal
CID 13682609
4-Chloro-3-fluorocyclohexane-1-carbaldehyde
CID 44228093
2-(5-Chloro-2-fluorocyclohexyl)acetaldehyde
CID 178856982

Frequently Asked Questions

What is the IUPAC name of 2-chlorocyclohexane-1-carbaldehyde?
The IUPAC name of 2-chlorocyclohexane-1-carbaldehyde (CID 6432191) is 2-chlorocyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-chlorocyclohexane-1-carbaldehyde?
The canonical SMILES for 2-chlorocyclohexane-1-carbaldehyde is O=CC1CCCCC1Cl.
What is the InChIKey of 2-chlorocyclohexane-1-carbaldehyde?
The InChIKey is KMRPGHDRZKCBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c8-7-4-2-1-3-6(7)5-9/h5-7H,1-4H2.
What are the key properties of 2-chlorocyclohexane-1-carbaldehyde?
2-chlorocyclohexane-1-carbaldehyde has a molecular weight of 146.62 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorocyclohexane-1-carbaldehyde is sourced from PubChem (CID 6432191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).