1-chloroicosane;phosphane;dihydrochloride

C20H46Cl3P — CID 173449794

IUPAC1-chloroicosane;phosphane;dihydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCl.Cl.Cl.P
InChIInChI=1S/C20H41Cl.2ClH.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;;;/h2-20H2,1H3;2*1H;1H3
InChIKeyAQZVYYOPAZVYDS-UHFFFAOYSA-N
MW423.92 g/mol
LogP9.17
Rot. Bonds18

About 1-chloroicosane;phosphane;dihydrochloride

1-chloroicosane;phosphane;dihydrochloride (PubChem CID 173449794) has the molecular formula C20H46Cl3P and a molecular weight of 423.92 g/mol. Its IUPAC name is 1-chloroicosane;phosphane;dihydrochloride.

Molecular Properties

Compound Name1-chloroicosane;phosphane;dihydrochloride
PubChem CID173449794
Molecular FormulaC20H46Cl3P
Molecular Weight423.92 g/mol
Exact Mass422.24
IUPAC Name1-chloroicosane;phosphane;dihydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCl.Cl.Cl.P
InChIInChI=1S/C20H41Cl.2ClH.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;;;/h2-20H2,1H3;2*1H;1H3
InChIKeyAQZVYYOPAZVYDS-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 59.17
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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Frequently Asked Questions

What is the IUPAC name of 1-chloroicosane;phosphane;dihydrochloride?
The IUPAC name of 1-chloroicosane;phosphane;dihydrochloride (CID 173449794) is 1-chloroicosane;phosphane;dihydrochloride.
What is the SMILES notation for 1-chloroicosane;phosphane;dihydrochloride?
The canonical SMILES for 1-chloroicosane;phosphane;dihydrochloride is CCCCCCCCCCCCCCCCCCCCCl.Cl.Cl.P.
What is the InChIKey of 1-chloroicosane;phosphane;dihydrochloride?
The InChIKey is AQZVYYOPAZVYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41Cl.2ClH.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;;;/h2-20H2,1H3;2*1H;1H3.
What are the key properties of 1-chloroicosane;phosphane;dihydrochloride?
1-chloroicosane;phosphane;dihydrochloride has a molecular weight of 423.92 g/mol, XLogP of 9.17, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroicosane;phosphane;dihydrochloride is sourced from PubChem (CID 173449794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).