chloro-didecyl-dihydroxy-λ5-phosphane

C20H44ClO2P — CID 88807226

IUPACchloro-didecyl-dihydroxy-λ5-phosphane
SMILESCCCCCCCCCCP(O)(O)(Cl)CCCCCCCCCC
InChIInChI=1S/C20H44ClO2P/c1-3-5-7-9-11-13-15-17-19-24(21,22,23)20-18-16-14-12-10-8-6-4-2/h22-23H,3-20H2,1-2H3
InChIKeyXTPWRPXAVHDGAI-UHFFFAOYSA-N
MW383.00 g/mol
LogP7.79
Rot. Bonds18

About chloro-didecyl-dihydroxy-λ5-phosphane

chloro-didecyl-dihydroxy-λ5-phosphane (PubChem CID 88807226) has the molecular formula C20H44ClO2P and a molecular weight of 383.00 g/mol. Its IUPAC name is chloro-didecyl-dihydroxy-λ5-phosphane.

Molecular Properties

Compound Namechloro-didecyl-dihydroxy-λ5-phosphane
PubChem CID88807226
Molecular FormulaC20H44ClO2P
Molecular Weight383.00 g/mol
Exact Mass382.28
IUPAC Namechloro-didecyl-dihydroxy-λ5-phosphane
SMILESCCCCCCCCCCP(O)(O)(Cl)CCCCCCCCCC
InChIInChI=1S/C20H44ClO2P/c1-3-5-7-9-11-13-15-17-19-24(21,22,23)20-18-16-14-12-10-8-6-4-2/h22-23H,3-20H2,1-2H3
InChIKeyXTPWRPXAVHDGAI-UHFFFAOYSA-N
XLogP7.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.00
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
chloro-trimethyl-tetracosyl-λ5-phosphane
CID 140680178
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
trihydroxy-methyl-undecyl-λ5-phosphane
CID 87283197
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
4-[chloro-hexadecyl-bis(4-hydroxybutyl)-λ5-phosphanyl]butan-1-ol
CID 139983344
decane;hypochlorous acid
CID 88775425
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
hexane;hypochlorous acid
CID 88775298
methanol;undecane
CID 161373911

Frequently Asked Questions

What is the IUPAC name of chloro-didecyl-dihydroxy-λ5-phosphane?
The IUPAC name of chloro-didecyl-dihydroxy-λ5-phosphane (CID 88807226) is chloro-didecyl-dihydroxy-λ5-phosphane.
What is the SMILES notation for chloro-didecyl-dihydroxy-λ5-phosphane?
The canonical SMILES for chloro-didecyl-dihydroxy-λ5-phosphane is CCCCCCCCCCP(O)(O)(Cl)CCCCCCCCCC.
What is the InChIKey of chloro-didecyl-dihydroxy-λ5-phosphane?
The InChIKey is XTPWRPXAVHDGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44ClO2P/c1-3-5-7-9-11-13-15-17-19-24(21,22,23)20-18-16-14-12-10-8-6-4-2/h22-23H,3-20H2,1-2H3.
What are the key properties of chloro-didecyl-dihydroxy-λ5-phosphane?
chloro-didecyl-dihydroxy-λ5-phosphane has a molecular weight of 383.00 g/mol, XLogP of 7.79, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-didecyl-dihydroxy-λ5-phosphane is sourced from PubChem (CID 88807226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).