8-methylhexadecanedioyl dichloride

C17H30Cl2O2 — CID 139686539

IUPAC8-methylhexadecanedioyl dichloride
SMILESCC(CCCCCCCC(=O)Cl)CCCCCCC(=O)Cl
InChIInChI=1S/C17H30Cl2O2/c1-15(12-8-5-6-10-14-17(19)21)11-7-3-2-4-9-13-16(18)20/h15H,2-14H2,1H3
InChIKeyKHAHHOCYMGKCTM-UHFFFAOYSA-N
MW337.33 g/mol
LogP6.22
Rot. Bonds15

About 8-methylhexadecanedioyl dichloride

8-methylhexadecanedioyl dichloride (PubChem CID 139686539) has the molecular formula C17H30Cl2O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 8-methylhexadecanedioyl dichloride.

Molecular Properties

Compound Name8-methylhexadecanedioyl dichloride
PubChem CID139686539
Molecular FormulaC17H30Cl2O2
Molecular Weight337.33 g/mol
Exact Mass336.16
IUPAC Name8-methylhexadecanedioyl dichloride
SMILESCC(CCCCCCCC(=O)Cl)CCCCCCC(=O)Cl
InChIInChI=1S/C17H30Cl2O2/c1-15(12-8-5-6-10-14-17(19)21)11-7-3-2-4-9-13-16(18)20/h15H,2-14H2,1H3
InChIKeyKHAHHOCYMGKCTM-UHFFFAOYSA-N
XLogP6.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.33
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
2-methyldecanedioyl dichloride
CID 21217366
2,3-dimethylnonadecanedioyl dichloride
CID 87117742
21-methyldotetracontanediamide
CID 87333254
19-methylheptatriacontanedioic acid
CID 141009772
4-ethyltetradecanedioyl dichloride
CID 87116546
5-chlorohexanoyl chloride
CID 71757929
4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
12,17-dimethyloctadecanoic acid
CID 123475021
(18R)-18-methylicosanoic acid
CID 71587706
nonadecanoyl chloride
CID 4250939
4-methylheptanoyl chloride
CID 14234515

Frequently Asked Questions

What is the IUPAC name of 8-methylhexadecanedioyl dichloride?
The IUPAC name of 8-methylhexadecanedioyl dichloride (CID 139686539) is 8-methylhexadecanedioyl dichloride.
What is the SMILES notation for 8-methylhexadecanedioyl dichloride?
The canonical SMILES for 8-methylhexadecanedioyl dichloride is CC(CCCCCCCC(=O)Cl)CCCCCCC(=O)Cl.
What is the InChIKey of 8-methylhexadecanedioyl dichloride?
The InChIKey is KHAHHOCYMGKCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Cl2O2/c1-15(12-8-5-6-10-14-17(19)21)11-7-3-2-4-9-13-16(18)20/h15H,2-14H2,1H3.
What are the key properties of 8-methylhexadecanedioyl dichloride?
8-methylhexadecanedioyl dichloride has a molecular weight of 337.33 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylhexadecanedioyl dichloride is sourced from PubChem (CID 139686539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).