iodo-trioctyl-propyl-λ5-phosphane

C27H58IP — CID 140528088

IUPACiodo-trioctyl-propyl-λ5-phosphane
SMILESCCCCCCCCP(I)(CCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C27H58IP/c1-5-9-12-15-18-21-25-29(28,24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3/h5-27H2,1-4H3
InChIKeyWWTYADSZRXDQTF-UHFFFAOYSA-N
MW540.64 g/mol
LogP11.38
Rot. Bonds23

About iodo-trioctyl-propyl-λ5-phosphane

iodo-trioctyl-propyl-λ5-phosphane (PubChem CID 140528088) has the molecular formula C27H58IP and a molecular weight of 540.64 g/mol. Its IUPAC name is iodo-trioctyl-propyl-λ5-phosphane.

Molecular Properties

Compound Nameiodo-trioctyl-propyl-λ5-phosphane
PubChem CID140528088
Molecular FormulaC27H58IP
Molecular Weight540.64 g/mol
Exact Mass540.33
IUPAC Nameiodo-trioctyl-propyl-λ5-phosphane
SMILESCCCCCCCCP(I)(CCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C27H58IP/c1-5-9-12-15-18-21-25-29(28,24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3/h5-27H2,1-4H3
InChIKeyWWTYADSZRXDQTF-UHFFFAOYSA-N
XLogP11.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.64
LogP ≤ 511.38
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

heptyl-iodo-tripropyl-λ5-phosphane
CID 140527815
iodo-dipentyl-di(tetradecyl)-λ5-phosphane
CID 140527954
triheptyl-iodo-octyl-λ5-phosphane
CID 140527558
didodecyl-diethyl-iodo-λ5-phosphane
CID 140528028
triethyl-iodo-nonyl-λ5-phosphane
CID 140527728
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
dodecyl-fluoro-tripropyl-λ5-phosphane
CID 141204529

Frequently Asked Questions

What is the IUPAC name of iodo-trioctyl-propyl-λ5-phosphane?
The IUPAC name of iodo-trioctyl-propyl-λ5-phosphane (CID 140528088) is iodo-trioctyl-propyl-λ5-phosphane.
What is the SMILES notation for iodo-trioctyl-propyl-λ5-phosphane?
The canonical SMILES for iodo-trioctyl-propyl-λ5-phosphane is CCCCCCCCP(I)(CCC)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of iodo-trioctyl-propyl-λ5-phosphane?
The InChIKey is WWTYADSZRXDQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58IP/c1-5-9-12-15-18-21-25-29(28,24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3/h5-27H2,1-4H3.
What are the key properties of iodo-trioctyl-propyl-λ5-phosphane?
iodo-trioctyl-propyl-λ5-phosphane has a molecular weight of 540.64 g/mol, XLogP of 11.38, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-trioctyl-propyl-λ5-phosphane is sourced from PubChem (CID 140528088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).