1-chloroicosane;dichlorophosphane

C20H42Cl3P — CID 173449796

IUPAC1-chloroicosane;dichlorophosphane
SMILESCCCCCCCCCCCCCCCCCCCCCl.ClPCl
InChIInChI=1S/C20H41Cl.Cl2HP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;1-3-2/h2-20H2,1H3;3H
InChIKeyFDFKXCKCFPSQML-UHFFFAOYSA-N
MW419.89 g/mol
LogP10.24
Rot. Bonds18

About 1-chloroicosane;dichlorophosphane

1-chloroicosane;dichlorophosphane (PubChem CID 173449796) has the molecular formula C20H42Cl3P and a molecular weight of 419.89 g/mol. Its IUPAC name is 1-chloroicosane;dichlorophosphane.

Molecular Properties

Compound Name1-chloroicosane;dichlorophosphane
PubChem CID173449796
Molecular FormulaC20H42Cl3P
Molecular Weight419.89 g/mol
Exact Mass418.21
IUPAC Name1-chloroicosane;dichlorophosphane
SMILESCCCCCCCCCCCCCCCCCCCCCl.ClPCl
InChIInChI=1S/C20H41Cl.Cl2HP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;1-3-2/h2-20H2,1H3;3H
InChIKeyFDFKXCKCFPSQML-UHFFFAOYSA-N
XLogP10.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.89
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
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1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
sodium;1-chlorododecane;chloride
CID 175001889
azane;1-chlorohexadecane;hydrate
CID 174801150
sodium;carbanide;1-chlorododecane
CID 175514406
1-chloroicosane;phosphane;dihydrochloride
CID 173449794
1-chloropentane;ethane
CID 175284520
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589

Frequently Asked Questions

What is the IUPAC name of 1-chloroicosane;dichlorophosphane?
The IUPAC name of 1-chloroicosane;dichlorophosphane (CID 173449796) is 1-chloroicosane;dichlorophosphane.
What is the SMILES notation for 1-chloroicosane;dichlorophosphane?
The canonical SMILES for 1-chloroicosane;dichlorophosphane is CCCCCCCCCCCCCCCCCCCCCl.ClPCl.
What is the InChIKey of 1-chloroicosane;dichlorophosphane?
The InChIKey is FDFKXCKCFPSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41Cl.Cl2HP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;1-3-2/h2-20H2,1H3;3H.
What are the key properties of 1-chloroicosane;dichlorophosphane?
1-chloroicosane;dichlorophosphane has a molecular weight of 419.89 g/mol, XLogP of 10.24, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroicosane;dichlorophosphane is sourced from PubChem (CID 173449796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).