dimethylphosphorylmethane;nonanoyl chloride

C12H26ClO2P — CID 91004797

IUPACdimethylphosphorylmethane;nonanoyl chloride
SMILESCCCCCCCCC(=O)Cl.CP(C)(C)=O
InChIInChI=1S/C9H17ClO.C3H9OP/c1-2-3-4-5-6-7-8-9(10)11;1-5(2,3)4/h2-8H2,1H3;1-3H3
InChIKeyZCZUGUHZTYTWJZ-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.74
Rot. Bonds7

About dimethylphosphorylmethane;nonanoyl chloride

dimethylphosphorylmethane;nonanoyl chloride (PubChem CID 91004797) has the molecular formula C12H26ClO2P and a molecular weight of 268.76 g/mol. Its IUPAC name is dimethylphosphorylmethane;nonanoyl chloride.

Molecular Properties

Compound Namedimethylphosphorylmethane;nonanoyl chloride
PubChem CID91004797
Molecular FormulaC12H26ClO2P
Molecular Weight268.76 g/mol
Exact Mass268.14
IUPAC Namedimethylphosphorylmethane;nonanoyl chloride
SMILESCCCCCCCCC(=O)Cl.CP(C)(C)=O
InChIInChI=1S/C9H17ClO.C3H9OP/c1-2-3-4-5-6-7-8-9(10)11;1-5(2,3)4/h2-8H2,1H3;1-3H3
InChIKeyZCZUGUHZTYTWJZ-UHFFFAOYSA-N
XLogP4.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

nonadecanoyl chloride
CID 4250939
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
cyclohexane;octanoyl chloride
CID 175478267
benzene;hexanoyl chloride
CID 174698331
(Z)-octadec-6-enoyl chloride
CID 87496565
(E)-hexadec-9-enoyl chloride
CID 6272807
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
(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
CID 88803274

Frequently Asked Questions

What is the IUPAC name of dimethylphosphorylmethane;nonanoyl chloride?
The IUPAC name of dimethylphosphorylmethane;nonanoyl chloride (CID 91004797) is dimethylphosphorylmethane;nonanoyl chloride.
What is the SMILES notation for dimethylphosphorylmethane;nonanoyl chloride?
The canonical SMILES for dimethylphosphorylmethane;nonanoyl chloride is CCCCCCCCC(=O)Cl.CP(C)(C)=O.
What is the InChIKey of dimethylphosphorylmethane;nonanoyl chloride?
The InChIKey is ZCZUGUHZTYTWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO.C3H9OP/c1-2-3-4-5-6-7-8-9(10)11;1-5(2,3)4/h2-8H2,1H3;1-3H3.
What are the key properties of dimethylphosphorylmethane;nonanoyl chloride?
dimethylphosphorylmethane;nonanoyl chloride has a molecular weight of 268.76 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphorylmethane;nonanoyl chloride is sourced from PubChem (CID 91004797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).