2-hexylundecanoyl chloride

C17H33ClO — CID 143261788

IUPAC2-hexylundecanoyl chloride
SMILESCCCCCCCCCC(CCCCCC)C(=O)Cl
InChIInChI=1S/C17H33ClO/c1-3-5-7-9-10-11-13-15-16(17(18)19)14-12-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeyQWMHELLAKCVLTB-UHFFFAOYSA-N
MW288.90 g/mol
LogP6.48
Rot. Bonds14

About 2-hexylundecanoyl chloride

2-hexylundecanoyl chloride (PubChem CID 143261788) has the molecular formula C17H33ClO and a molecular weight of 288.90 g/mol. Its IUPAC name is 2-hexylundecanoyl chloride.

Molecular Properties

Compound Name2-hexylundecanoyl chloride
PubChem CID143261788
Molecular FormulaC17H33ClO
Molecular Weight288.90 g/mol
Exact Mass288.22
IUPAC Name2-hexylundecanoyl chloride
SMILESCCCCCCCCCC(CCCCCC)C(=O)Cl
InChIInChI=1S/C17H33ClO/c1-3-5-7-9-10-11-13-15-16(17(18)19)14-12-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeyQWMHELLAKCVLTB-UHFFFAOYSA-N
XLogP6.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.90
LogP ≤ 56.48
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-butyloctanoyl chloride
CID 22341435
11,13-diheptyltricosan-12-one
CID 175328104
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
2-methyldecanoyl chloride
CID 19022279
(2S)-2-methyloctadecanoyl chloride
CID 88703138
2-chlorooctadecanoyl chloride
CID 20512617
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-hexylnonanoic acid
CID 18521424
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823

Frequently Asked Questions

What is the IUPAC name of 2-hexylundecanoyl chloride?
The IUPAC name of 2-hexylundecanoyl chloride (CID 143261788) is 2-hexylundecanoyl chloride.
What is the SMILES notation for 2-hexylundecanoyl chloride?
The canonical SMILES for 2-hexylundecanoyl chloride is CCCCCCCCCC(CCCCCC)C(=O)Cl.
What is the InChIKey of 2-hexylundecanoyl chloride?
The InChIKey is QWMHELLAKCVLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33ClO/c1-3-5-7-9-10-11-13-15-16(17(18)19)14-12-8-6-4-2/h16H,3-15H2,1-2H3.
What are the key properties of 2-hexylundecanoyl chloride?
2-hexylundecanoyl chloride has a molecular weight of 288.90 g/mol, XLogP of 6.48, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylundecanoyl chloride is sourced from PubChem (CID 143261788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).