2-methyldecanoyl chloride

C11H21ClO — CID 19022279

IUPAC2-methyldecanoyl chloride
SMILESCCCCCCCCC(C)C(=O)Cl
InChIInChI=1S/C11H21ClO/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3
InChIKeyPGVQYOFKBIIVSF-UHFFFAOYSA-N
MW204.74 g/mol
LogP4.14
Rot. Bonds8

About 2-methyldecanoyl chloride

2-methyldecanoyl chloride (PubChem CID 19022279) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 2-methyldecanoyl chloride.

Molecular Properties

Compound Name2-methyldecanoyl chloride
PubChem CID19022279
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name2-methyldecanoyl chloride
SMILESCCCCCCCCC(C)C(=O)Cl
InChIInChI=1S/C11H21ClO/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3
InChIKeyPGVQYOFKBIIVSF-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 54.14
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

(2S)-2-methyloctadecanoyl chloride
CID 88703138
(Z,2S)-2-methyloctadec-9-enoyl chloride
CID 129408802
(2R)-2-methylpentanoyl chloride
CID 7160703
2-methyldecanedioyl dichloride
CID 21217366
3-methyltridecan-2-one
CID 58341645
3-methylundecan-2-one
CID 12634600
3-methyloctadecan-2-one
CID 89177698
2-hexylundecanoyl chloride
CID 143261788
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 2-methyldecanoyl chloride?
The IUPAC name of 2-methyldecanoyl chloride (CID 19022279) is 2-methyldecanoyl chloride.
What is the SMILES notation for 2-methyldecanoyl chloride?
The canonical SMILES for 2-methyldecanoyl chloride is CCCCCCCCC(C)C(=O)Cl.
What is the InChIKey of 2-methyldecanoyl chloride?
The InChIKey is PGVQYOFKBIIVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3.
What are the key properties of 2-methyldecanoyl chloride?
2-methyldecanoyl chloride has a molecular weight of 204.74 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecanoyl chloride is sourced from PubChem (CID 19022279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).