nonadecanoyl chloride

C19H37ClO — CID 4250939

IUPACnonadecanoyl chloride
SMILESCCCCCCCCCCCCCCCCCCC(=O)Cl
InChIInChI=1S/C19H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3
InChIKeyBASNZTUXPUAQLZ-UHFFFAOYSA-N
MW316.96 g/mol
LogP7.40
Rot. Bonds17

About nonadecanoyl chloride

nonadecanoyl chloride (PubChem CID 4250939) has the molecular formula C19H37ClO and a molecular weight of 316.96 g/mol. Its IUPAC name is nonadecanoyl chloride.

Molecular Properties

Compound Namenonadecanoyl chloride
PubChem CID4250939
Molecular FormulaC19H37ClO
Molecular Weight316.96 g/mol
Exact Mass316.25
IUPAC Namenonadecanoyl chloride
SMILESCCCCCCCCCCCCCCCCCCC(=O)Cl
InChIInChI=1S/C19H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3
InChIKeyBASNZTUXPUAQLZ-UHFFFAOYSA-N
XLogP7.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.96
LogP ≤ 57.40
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

sodium;bis(dodecanoyl chloride);hydride
CID 175516799
cyclohexane;octanoyl chloride
CID 175478267
dimethylphosphorylmethane;nonanoyl chloride
CID 91004797
benzene;hexanoyl chloride
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(E)-hexadec-9-enoyl chloride
CID 6272807
(Z)-octadec-6-enoyl chloride
CID 87496565
hexadec-9-enoyl chloride
CID 5109845
(Z)-heptadec-10-enoyl chloride
CID 14430044
pentanoyl chloride;hydrofluoride
CID 174423538
(Z)-octadec-9-enoyl chloride;dihydrochloride
CID 141041572
octadeca-8,10-diynoyl chloride
CID 87770394
(11Z,14Z)-icosa-11,14-dienoyl chloride
CID 124636194

Frequently Asked Questions

What is the IUPAC name of nonadecanoyl chloride?
The IUPAC name of nonadecanoyl chloride (CID 4250939) is nonadecanoyl chloride.
What is the SMILES notation for nonadecanoyl chloride?
The canonical SMILES for nonadecanoyl chloride is CCCCCCCCCCCCCCCCCCC(=O)Cl.
What is the InChIKey of nonadecanoyl chloride?
The InChIKey is BASNZTUXPUAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3.
What are the key properties of nonadecanoyl chloride?
nonadecanoyl chloride has a molecular weight of 316.96 g/mol, XLogP of 7.40, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecanoyl chloride is sourced from PubChem (CID 4250939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).