chloro-didodecyl-diphenyl-λ5-phosphane

C36H60ClP — CID 140527781

IUPACchloro-didodecyl-diphenyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H60ClP/c1-3-5-7-9-11-13-15-17-19-27-33-38(37,35-29-23-21-24-30-35,36-31-25-22-26-32-36)34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-34H2,1-2H3
InChIKeyATXIFWSHBRTMRC-UHFFFAOYSA-N
MW559.30 g/mol
LogP12.19
Rot. Bonds24

About chloro-didodecyl-diphenyl-λ5-phosphane

chloro-didodecyl-diphenyl-λ5-phosphane (PubChem CID 140527781) has the molecular formula C36H60ClP and a molecular weight of 559.30 g/mol. Its IUPAC name is chloro-didodecyl-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-didodecyl-diphenyl-λ5-phosphane
PubChem CID140527781
Molecular FormulaC36H60ClP
Molecular Weight559.30 g/mol
Exact Mass558.41
IUPAC Namechloro-didodecyl-diphenyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H60ClP/c1-3-5-7-9-11-13-15-17-19-27-33-38(37,35-29-23-21-24-30-35,36-31-25-22-26-32-36)34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-34H2,1-2H3
InChIKeyATXIFWSHBRTMRC-UHFFFAOYSA-N
XLogP12.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.30
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride
CID 173147619
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
CID 174530893
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882

Frequently Asked Questions

What is the IUPAC name of chloro-didodecyl-diphenyl-λ5-phosphane?
The IUPAC name of chloro-didodecyl-diphenyl-λ5-phosphane (CID 140527781) is chloro-didodecyl-diphenyl-λ5-phosphane.
What is the SMILES notation for chloro-didodecyl-diphenyl-λ5-phosphane?
The canonical SMILES for chloro-didodecyl-diphenyl-λ5-phosphane is CCCCCCCCCCCCP(Cl)(CCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-didodecyl-diphenyl-λ5-phosphane?
The InChIKey is ATXIFWSHBRTMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60ClP/c1-3-5-7-9-11-13-15-17-19-27-33-38(37,35-29-23-21-24-30-35,36-31-25-22-26-32-36)34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-34H2,1-2H3.
What are the key properties of chloro-didodecyl-diphenyl-λ5-phosphane?
chloro-didodecyl-diphenyl-λ5-phosphane has a molecular weight of 559.30 g/mol, XLogP of 12.19, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-didodecyl-diphenyl-λ5-phosphane is sourced from PubChem (CID 140527781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).