(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride

C9H19Cl2O3P — CID 88803274

IUPAC(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
SMILESCCCCCCP(=O)(O)CCC(=O)Cl.Cl
InChIInChI=1S/C9H18ClO3P.ClH/c1-2-3-4-5-7-14(12,13)8-6-9(10)11;/h2-8H2,1H3,(H,12,13);1H
InChIKeyMDMAWVKVFZQXFC-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.41
Rot. Bonds8

About (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride

(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride (PubChem CID 88803274) has the molecular formula C9H19Cl2O3P and a molecular weight of 277.13 g/mol. Its IUPAC name is (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride.

Molecular Properties

Compound Name(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
PubChem CID88803274
Molecular FormulaC9H19Cl2O3P
Molecular Weight277.13 g/mol
Exact Mass276.04
IUPAC Name(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
SMILESCCCCCCP(=O)(O)CCC(=O)Cl.Cl
InChIInChI=1S/C9H18ClO3P.ClH/c1-2-3-4-5-7-14(12,13)8-6-9(10)11;/h2-8H2,1H3,(H,12,13);1H
InChIKeyMDMAWVKVFZQXFC-UHFFFAOYSA-N
XLogP3.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.41
H-Bond Donors ≤ 51
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

butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
CID 88803744
3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
didecylphosphinic acid;nickel
CID 87135973
didodecylphosphinic acid;nickel
CID 87135872
dioctadecylphosphinic acid;nickel
CID 87136046
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
dimethylphosphorylmethane;nonanoyl chloride
CID 91004797
nonadecanoyl chloride
CID 4250939
2-[dodecyl(hydroxy)phosphoryl]acetic acid
CID 56691297
butyl-[5-(hexanoylamino)pentyl]phosphinic acid
CID 170966212
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
hexylphosphonic acid;octylphosphonic acid
CID 155346901

Frequently Asked Questions

What is the IUPAC name of (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride?
The IUPAC name of (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride (CID 88803274) is (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride.
What is the SMILES notation for (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride?
The canonical SMILES for (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride is CCCCCCP(=O)(O)CCC(=O)Cl.Cl.
What is the InChIKey of (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride?
The InChIKey is MDMAWVKVFZQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO3P.ClH/c1-2-3-4-5-7-14(12,13)8-6-9(10)11;/h2-8H2,1H3,(H,12,13);1H.
What are the key properties of (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride?
(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride has a molecular weight of 277.13 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride is sourced from PubChem (CID 88803274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).