(2S)-2-methyloctadecanoyl chloride

C19H37ClO — CID 88703138

IUPAC(2S)-2-methyloctadecanoyl chloride
SMILESCCCCCCCCCCCCCCCC[C@H](C)C(=O)Cl
InChIInChI=1S/C19H37ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyNQCSCLOUYJZOAI-SFHVURJKSA-N
MW316.96 g/mol
LogP7.26
Rot. Bonds16

About (2S)-2-methyloctadecanoyl chloride

(2S)-2-methyloctadecanoyl chloride (PubChem CID 88703138) has the molecular formula C19H37ClO and a molecular weight of 316.96 g/mol. Its IUPAC name is (2S)-2-methyloctadecanoyl chloride.

Molecular Properties

Compound Name(2S)-2-methyloctadecanoyl chloride
PubChem CID88703138
Molecular FormulaC19H37ClO
Molecular Weight316.96 g/mol
Exact Mass316.25
IUPAC Name(2S)-2-methyloctadecanoyl chloride
SMILESCCCCCCCCCCCCCCCC[C@H](C)C(=O)Cl
InChIInChI=1S/C19H37ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyNQCSCLOUYJZOAI-SFHVURJKSA-N
XLogP7.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.96
LogP ≤ 57.26
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'}

Analyze (2S)-2-methyloctadecanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyldecanoyl chloride
CID 19022279
(Z,2S)-2-methyloctadec-9-enoyl chloride
CID 129408802
(2R)-2-methylpentanoyl chloride
CID 7160703
2-methyldecanedioyl dichloride
CID 21217366
3-methylundecan-2-one
CID 12634600
3-methyloctadecan-2-one
CID 89177698
2-hexylundecanoyl chloride
CID 143261788
3-methyltridecan-2-one
CID 58341645
heptane;2-methylheptadecanoic acid
CID 175511035
2-nonan-2-ylpropanedioyl dichloride
CID 22468236
2,4-dimethyldecan-3-one
CID 79298815
2-chlorooctadecanoyl chloride
CID 20512617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyloctadecanoyl chloride?
The IUPAC name of (2S)-2-methyloctadecanoyl chloride (CID 88703138) is (2S)-2-methyloctadecanoyl chloride.
What is the SMILES notation for (2S)-2-methyloctadecanoyl chloride?
The canonical SMILES for (2S)-2-methyloctadecanoyl chloride is CCCCCCCCCCCCCCCC[C@H](C)C(=O)Cl.
What is the InChIKey of (2S)-2-methyloctadecanoyl chloride?
The InChIKey is NQCSCLOUYJZOAI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H37ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-methyloctadecanoyl chloride?
(2S)-2-methyloctadecanoyl chloride has a molecular weight of 316.96 g/mol, XLogP of 7.26, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyloctadecanoyl chloride is sourced from PubChem (CID 88703138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).