2-hexyldecanoyl chloride

C16H31ClO — CID 11437295

IUPAC2-hexyldecanoyl chloride
SMILESCCCCCCCCC(CCCCCC)C(=O)Cl
InChIInChI=1S/C16H31ClO/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyMHEDPJJXDOOCQO-UHFFFAOYSA-N
MW274.88 g/mol
LogP6.09
Rot. Bonds13

About 2-hexyldecanoyl chloride

2-hexyldecanoyl chloride (PubChem CID 11437295) has the molecular formula C16H31ClO and a molecular weight of 274.88 g/mol. Its IUPAC name is 2-hexyldecanoyl chloride.

Molecular Properties

Compound Name2-hexyldecanoyl chloride
PubChem CID11437295
Molecular FormulaC16H31ClO
Molecular Weight274.88 g/mol
Exact Mass274.21
IUPAC Name2-hexyldecanoyl chloride
SMILESCCCCCCCCC(CCCCCC)C(=O)Cl
InChIInChI=1S/C16H31ClO/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyMHEDPJJXDOOCQO-UHFFFAOYSA-N
XLogP6.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.88
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-Ethylhexanoyl chloride
CID 79103
Neodecanoyl chloride
CID 94502
3-Cyclopentylpropionyl chloride
CID 66039
Cyclohexylacetyl chloride
CID 2757989
Isononanoyl chloride
CID 92654
Cyclohexylpropionyl chloride
CID 2734098
1-(2-Ethylbutyl)cyclohexanecarbonyl chloride
CID 10657125
Cycloheptanecarbonyl chloride
CID 12556870
Heptadecanoyl chloride, 16-methyl-
CID 118402
trans-4-Isopropylcyclohexanecarbonyl chloride
CID 10176455
2-Butylhexanoyl chloride
CID 20429218
Monoethyl suberyl chloride
CID 21118475

Frequently Asked Questions

What is the IUPAC name of 2-hexyldecanoyl chloride?
The IUPAC name of 2-hexyldecanoyl chloride (CID 11437295) is 2-hexyldecanoyl chloride.
What is the SMILES notation for 2-hexyldecanoyl chloride?
The canonical SMILES for 2-hexyldecanoyl chloride is CCCCCCCCC(CCCCCC)C(=O)Cl.
What is the InChIKey of 2-hexyldecanoyl chloride?
The InChIKey is MHEDPJJXDOOCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClO/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 2-hexyldecanoyl chloride?
2-hexyldecanoyl chloride has a molecular weight of 274.88 g/mol, XLogP of 6.09, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldecanoyl chloride is sourced from PubChem (CID 11437295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).