2-chloro-2-cyclohexylacetaldehyde

C8H13ClO — CID 21496414

IUPAC2-chloro-2-cyclohexylacetaldehyde
SMILESO=CC(Cl)C1CCCCC1
InChIInChI=1S/C8H13ClO/c9-8(6-10)7-4-2-1-3-5-7/h6-8H,1-5H2
InChIKeyNCAMPUVHZNMVLE-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.37
Rot. Bonds2

About 2-chloro-2-cyclohexylacetaldehyde

2-chloro-2-cyclohexylacetaldehyde (PubChem CID 21496414) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 2-chloro-2-cyclohexylacetaldehyde.

Molecular Properties

Compound Name2-chloro-2-cyclohexylacetaldehyde
PubChem CID21496414
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name2-chloro-2-cyclohexylacetaldehyde
SMILESO=CC(Cl)C1CCCCC1
InChIInChI=1S/C8H13ClO/c9-8(6-10)7-4-2-1-3-5-7/h6-8H,1-5H2
InChIKeyNCAMPUVHZNMVLE-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.37
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-chloro-2-cyclohexylacetaldehyde?
The IUPAC name of 2-chloro-2-cyclohexylacetaldehyde (CID 21496414) is 2-chloro-2-cyclohexylacetaldehyde.
What is the SMILES notation for 2-chloro-2-cyclohexylacetaldehyde?
The canonical SMILES for 2-chloro-2-cyclohexylacetaldehyde is O=CC(Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-2-cyclohexylacetaldehyde?
The InChIKey is NCAMPUVHZNMVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c9-8(6-10)7-4-2-1-3-5-7/h6-8H,1-5H2.
What are the key properties of 2-chloro-2-cyclohexylacetaldehyde?
2-chloro-2-cyclohexylacetaldehyde has a molecular weight of 160.64 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclohexylacetaldehyde is sourced from PubChem (CID 21496414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).