4-chlorocyclohexane-1-carbaldehyde

C7H11ClO — CID 19095038

IUPAC4-chlorocyclohexane-1-carbaldehyde
SMILESO=CC1CCC(Cl)CC1
InChIInChI=1S/C7H11ClO/c8-7-3-1-6(5-9)2-4-7/h5-7H,1-4H2
InChIKeyLVVFZJREXMSAMO-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.98
Rot. Bonds1

About 4-chlorocyclohexane-1-carbaldehyde

4-chlorocyclohexane-1-carbaldehyde (PubChem CID 19095038) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 4-chlorocyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-chlorocyclohexane-1-carbaldehyde
PubChem CID19095038
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name4-chlorocyclohexane-1-carbaldehyde
SMILESO=CC1CCC(Cl)CC1
InChIInChI=1S/C7H11ClO/c8-7-3-1-6(5-9)2-4-7/h5-7H,1-4H2
InChIKeyLVVFZJREXMSAMO-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorocyclohexane-1-carbaldehyde?
The IUPAC name of 4-chlorocyclohexane-1-carbaldehyde (CID 19095038) is 4-chlorocyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-chlorocyclohexane-1-carbaldehyde?
The canonical SMILES for 4-chlorocyclohexane-1-carbaldehyde is O=CC1CCC(Cl)CC1.
What is the InChIKey of 4-chlorocyclohexane-1-carbaldehyde?
The InChIKey is LVVFZJREXMSAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c8-7-3-1-6(5-9)2-4-7/h5-7H,1-4H2.
What are the key properties of 4-chlorocyclohexane-1-carbaldehyde?
4-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 4-chlorocyclohexane-1-carbaldehyde is sourced from PubChem (CID 19095038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).