iodo-dioctyl-diphenyl-λ5-phosphane

C28H44IP — CID 140527903

IUPACiodo-dioctyl-diphenyl-λ5-phosphane
SMILESCCCCCCCCP(I)(CCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44IP/c1-3-5-7-9-11-19-25-30(29,27-21-15-13-16-22-27,28-23-17-14-18-24-28)26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3
InChIKeyYLQZWQOONAKXQV-UHFFFAOYSA-N
MW538.54 g/mol
LogP9.26
Rot. Bonds16

About iodo-dioctyl-diphenyl-λ5-phosphane

iodo-dioctyl-diphenyl-λ5-phosphane (PubChem CID 140527903) has the molecular formula C28H44IP and a molecular weight of 538.54 g/mol. Its IUPAC name is iodo-dioctyl-diphenyl-λ5-phosphane.

Molecular Properties

Compound Nameiodo-dioctyl-diphenyl-λ5-phosphane
PubChem CID140527903
Molecular FormulaC28H44IP
Molecular Weight538.54 g/mol
Exact Mass538.22
IUPAC Nameiodo-dioctyl-diphenyl-λ5-phosphane
SMILESCCCCCCCCP(I)(CCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44IP/c1-3-5-7-9-11-19-25-30(29,27-21-15-13-16-22-27,28-23-17-14-18-24-28)26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3
InChIKeyYLQZWQOONAKXQV-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.54
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
CID 174530893
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
1,1'-biphenyl;hexadecane
CID 173308514
dibromo-butyl-diphenyl-λ5-phosphane
CID 134984074

Frequently Asked Questions

What is the IUPAC name of iodo-dioctyl-diphenyl-λ5-phosphane?
The IUPAC name of iodo-dioctyl-diphenyl-λ5-phosphane (CID 140527903) is iodo-dioctyl-diphenyl-λ5-phosphane.
What is the SMILES notation for iodo-dioctyl-diphenyl-λ5-phosphane?
The canonical SMILES for iodo-dioctyl-diphenyl-λ5-phosphane is CCCCCCCCP(I)(CCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of iodo-dioctyl-diphenyl-λ5-phosphane?
The InChIKey is YLQZWQOONAKXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44IP/c1-3-5-7-9-11-19-25-30(29,27-21-15-13-16-22-27,28-23-17-14-18-24-28)26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3.
What are the key properties of iodo-dioctyl-diphenyl-λ5-phosphane?
iodo-dioctyl-diphenyl-λ5-phosphane has a molecular weight of 538.54 g/mol, XLogP of 9.26, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-dioctyl-diphenyl-λ5-phosphane is sourced from PubChem (CID 140527903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).