2-(2-chloroethyl)cyclohexane-1-carbaldehyde

C9H15ClO — CID 175426885

IUPAC2-(2-chloroethyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1CCCl
InChIInChI=1S/C9H15ClO/c10-6-5-8-3-1-2-4-9(8)7-11/h7-9H,1-6H2
InChIKeyFTYRFVAEQBZXGC-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-chloroethyl)cyclohexane-1-carbaldehyde

2-(2-chloroethyl)cyclohexane-1-carbaldehyde (PubChem CID 175426885) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-(2-chloroethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-chloroethyl)cyclohexane-1-carbaldehyde
PubChem CID175426885
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name2-(2-chloroethyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1CCCl
InChIInChI=1S/C9H15ClO/c10-6-5-8-3-1-2-4-9(8)7-11/h7-9H,1-6H2
InChIKeyFTYRFVAEQBZXGC-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 2-(2-chloroethyl)cyclohexane-1-carbaldehyde (CID 175426885) is 2-(2-chloroethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-(2-chloroethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-(2-chloroethyl)cyclohexane-1-carbaldehyde is O=CC1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)cyclohexane-1-carbaldehyde?
The InChIKey is FTYRFVAEQBZXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c10-6-5-8-3-1-2-4-9(8)7-11/h7-9H,1-6H2.
What are the key properties of 2-(2-chloroethyl)cyclohexane-1-carbaldehyde?
2-(2-chloroethyl)cyclohexane-1-carbaldehyde has a molecular weight of 174.67 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 175426885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).