5-chlorohexanoyl chloride

C6H10Cl2O — CID 71757929

IUPAC5-chlorohexanoyl chloride
SMILESCC(Cl)CCCC(=O)Cl
InChIInChI=1S/C6H10Cl2O/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3
InChIKeyXOMSOSIRNGNUSH-UHFFFAOYSA-N
MW169.05 g/mol
LogP2.55
Rot. Bonds4

About 5-chlorohexanoyl chloride

5-chlorohexanoyl chloride (PubChem CID 71757929) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is 5-chlorohexanoyl chloride.

Molecular Properties

Compound Name5-chlorohexanoyl chloride
PubChem CID71757929
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name5-chlorohexanoyl chloride
SMILESCC(Cl)CCCC(=O)Cl
InChIInChI=1S/C6H10Cl2O/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3
InChIKeyXOMSOSIRNGNUSH-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chlorohexanoic acid
CID 18541668
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
8-methylhexadecanedioyl dichloride
CID 139686539
propan-2-yl 5-chlorohexanoate
CID 23047200
8-chloro-4-oxononanoic acid
CID 56994510
3,7-dichlorooctan-2-one
CID 24973949
2-methyldecanedioyl dichloride
CID 21217366
methyl 6-chloroheptanoate
CID 11423919
2,3-dimethylnonadecanedioyl dichloride
CID 87117742
pentanoyl chloride;hydrofluoride
CID 174423538
potassium 4-chloropentanoate
CID 162525089
5-chloro-2-oxohexanoic acid
CID 138753393

Frequently Asked Questions

What is the IUPAC name of 5-chlorohexanoyl chloride?
The IUPAC name of 5-chlorohexanoyl chloride (CID 71757929) is 5-chlorohexanoyl chloride.
What is the SMILES notation for 5-chlorohexanoyl chloride?
The canonical SMILES for 5-chlorohexanoyl chloride is CC(Cl)CCCC(=O)Cl.
What is the InChIKey of 5-chlorohexanoyl chloride?
The InChIKey is XOMSOSIRNGNUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3.
What are the key properties of 5-chlorohexanoyl chloride?
5-chlorohexanoyl chloride has a molecular weight of 169.05 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorohexanoyl chloride is sourced from PubChem (CID 71757929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).