3-methoxyhexanoyl chloride

C7H13ClO2 — CID 123861555

IUPAC3-methoxyhexanoyl chloride
SMILESCCCC(CC(=O)Cl)OC
InChIInChI=1S/C7H13ClO2/c1-3-4-6(10-2)5-7(8)9/h6H,3-5H2,1-2H3
InChIKeyZBGCVGXXYJNYDM-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.96
Rot. Bonds5

About 3-methoxyhexanoyl chloride

3-methoxyhexanoyl chloride (PubChem CID 123861555) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 3-methoxyhexanoyl chloride.

Molecular Properties

Compound Name3-methoxyhexanoyl chloride
PubChem CID123861555
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name3-methoxyhexanoyl chloride
SMILESCCCC(CC(=O)Cl)OC
InChIInChI=1S/C7H13ClO2/c1-3-4-6(10-2)5-7(8)9/h6H,3-5H2,1-2H3
InChIKeyZBGCVGXXYJNYDM-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxyheptan-2-one
CID 175419718
3-aminohexanoyl chloride;hydrochloride
CID 174572302
5-methoxy-3-methyloct-2-enal
CID 91583504
5-methoxy-2,3-dimethyloct-2-en-1-ol
CID 91291967
3-(chloromethyl)hexanoyl chloride
CID 174921831
6-methoxy-2-methylnon-3-en-4-ol
CID 173120682
4-methoxyundecan-2-one
CID 14005013
3-methoxynonanoic acid
CID 139673009
(4S)-1-chloro-4-methoxyheptane
CID 97035520
1-chloro-4-methoxyheptane
CID 102547593
2-methoxypentane-1-sulfonyl chloride
CID 105453267
1,2-dimethoxypentane
CID 22961171

Frequently Asked Questions

What is the IUPAC name of 3-methoxyhexanoyl chloride?
The IUPAC name of 3-methoxyhexanoyl chloride (CID 123861555) is 3-methoxyhexanoyl chloride.
What is the SMILES notation for 3-methoxyhexanoyl chloride?
The canonical SMILES for 3-methoxyhexanoyl chloride is CCCC(CC(=O)Cl)OC.
What is the InChIKey of 3-methoxyhexanoyl chloride?
The InChIKey is ZBGCVGXXYJNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-3-4-6(10-2)5-7(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-methoxyhexanoyl chloride?
3-methoxyhexanoyl chloride has a molecular weight of 164.63 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyhexanoyl chloride is sourced from PubChem (CID 123861555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).