iodo-dipentyl-di(tetradecyl)-λ5-phosphane

C38H80IP — CID 140527954

IUPACiodo-dipentyl-di(tetradecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(I)(CCCCC)(CCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C38H80IP/c1-5-9-13-15-17-19-21-23-25-27-29-33-37-40(39,35-31-11-7-3,36-32-12-8-4)38-34-30-28-26-24-22-20-18-16-14-10-6-2/h5-38H2,1-4H3
InChIKeyBFVDDSJMLUTILF-UHFFFAOYSA-N
MW694.94 g/mol
LogP15.67
Rot. Bonds34

About iodo-dipentyl-di(tetradecyl)-λ5-phosphane

iodo-dipentyl-di(tetradecyl)-λ5-phosphane (PubChem CID 140527954) has the molecular formula C38H80IP and a molecular weight of 694.94 g/mol. Its IUPAC name is iodo-dipentyl-di(tetradecyl)-λ5-phosphane.

Molecular Properties

Compound Nameiodo-dipentyl-di(tetradecyl)-λ5-phosphane
PubChem CID140527954
Molecular FormulaC38H80IP
Molecular Weight694.94 g/mol
Exact Mass694.50
IUPAC Nameiodo-dipentyl-di(tetradecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(I)(CCCCC)(CCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C38H80IP/c1-5-9-13-15-17-19-21-23-25-27-29-33-37-40(39,35-31-11-7-3,36-32-12-8-4)38-34-30-28-26-24-22-20-18-16-14-10-6-2/h5-38H2,1-4H3
InChIKeyBFVDDSJMLUTILF-UHFFFAOYSA-N
XLogP15.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.94
LogP ≤ 515.67
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

triheptyl-iodo-octyl-λ5-phosphane
CID 140527558
iodo-trioctyl-propyl-λ5-phosphane
CID 140528088
heptyl-iodo-tripropyl-λ5-phosphane
CID 140527815
triethyl-iodo-nonyl-λ5-phosphane
CID 140527728
didodecyl-diethyl-iodo-λ5-phosphane
CID 140528028
triethyl-hexyl-iodo-λ5-phosphane
CID 140527694
diethyl-iodo-dipentyl-λ5-phosphane
CID 140527925
iodo-trimethyl-nonyl-λ5-phosphane
CID 140527821
triheptyl-iodo-methyl-λ5-phosphane
CID 140527858
butyl-triethyl-iodo-λ5-phosphane
CID 140527989
iodomethane;octadecane
CID 174964097
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of iodo-dipentyl-di(tetradecyl)-λ5-phosphane?
The IUPAC name of iodo-dipentyl-di(tetradecyl)-λ5-phosphane (CID 140527954) is iodo-dipentyl-di(tetradecyl)-λ5-phosphane.
What is the SMILES notation for iodo-dipentyl-di(tetradecyl)-λ5-phosphane?
The canonical SMILES for iodo-dipentyl-di(tetradecyl)-λ5-phosphane is CCCCCCCCCCCCCCP(I)(CCCCC)(CCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of iodo-dipentyl-di(tetradecyl)-λ5-phosphane?
The InChIKey is BFVDDSJMLUTILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80IP/c1-5-9-13-15-17-19-21-23-25-27-29-33-37-40(39,35-31-11-7-3,36-32-12-8-4)38-34-30-28-26-24-22-20-18-16-14-10-6-2/h5-38H2,1-4H3.
What are the key properties of iodo-dipentyl-di(tetradecyl)-λ5-phosphane?
iodo-dipentyl-di(tetradecyl)-λ5-phosphane has a molecular weight of 694.94 g/mol, XLogP of 15.67, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-dipentyl-di(tetradecyl)-λ5-phosphane is sourced from PubChem (CID 140527954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).