2-methyldodec-2-enoyl chloride

C13H23ClO — CID 72833281

IUPAC2-methyldodec-2-enoyl chloride
SMILESCCCCCCCCCC=C(C)C(=O)Cl
InChIInChI=1S/C13H23ClO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3
InChIKeyUYPORLZSVSLDJF-UHFFFAOYSA-N
MW230.78 g/mol
LogP4.84
Rot. Bonds9

About 2-methyldodec-2-enoyl chloride

2-methyldodec-2-enoyl chloride (PubChem CID 72833281) has the molecular formula C13H23ClO and a molecular weight of 230.78 g/mol. Its IUPAC name is 2-methyldodec-2-enoyl chloride.

Molecular Properties

Compound Name2-methyldodec-2-enoyl chloride
PubChem CID72833281
Molecular FormulaC13H23ClO
Molecular Weight230.78 g/mol
Exact Mass230.14
IUPAC Name2-methyldodec-2-enoyl chloride
SMILESCCCCCCCCCC=C(C)C(=O)Cl
InChIInChI=1S/C13H23ClO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3
InChIKeyUYPORLZSVSLDJF-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 54.84
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-3-methylnon-3-en-2-one
CID 98567788
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2-methylpentadec-2-enethioic S-acid
CID 87863769
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
2-methylhenicosa-2,12-dienoic acid
CID 73411111
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
N,2-dimethylundec-2-enamide
CID 4562078

Frequently Asked Questions

What is the IUPAC name of 2-methyldodec-2-enoyl chloride?
The IUPAC name of 2-methyldodec-2-enoyl chloride (CID 72833281) is 2-methyldodec-2-enoyl chloride.
What is the SMILES notation for 2-methyldodec-2-enoyl chloride?
The canonical SMILES for 2-methyldodec-2-enoyl chloride is CCCCCCCCCC=C(C)C(=O)Cl.
What is the InChIKey of 2-methyldodec-2-enoyl chloride?
The InChIKey is UYPORLZSVSLDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3.
What are the key properties of 2-methyldodec-2-enoyl chloride?
2-methyldodec-2-enoyl chloride has a molecular weight of 230.78 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodec-2-enoyl chloride is sourced from PubChem (CID 72833281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).