didodecyl-diethyl-iodo-λ5-phosphane

C28H60IP — CID 140528028

IUPACdidodecyl-diethyl-iodo-λ5-phosphane
SMILESCCCCCCCCCCCCP(I)(CC)(CC)CCCCCCCCCCCC
InChIInChI=1S/C28H60IP/c1-5-9-11-13-15-17-19-21-23-25-27-30(29,7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2/h5-28H2,1-4H3
InChIKeyYRPXZMKLFJUTML-UHFFFAOYSA-N
MW554.67 g/mol
LogP11.77
Rot. Bonds24

About didodecyl-diethyl-iodo-λ5-phosphane

didodecyl-diethyl-iodo-λ5-phosphane (PubChem CID 140528028) has the molecular formula C28H60IP and a molecular weight of 554.67 g/mol. Its IUPAC name is didodecyl-diethyl-iodo-λ5-phosphane.

Molecular Properties

Compound Namedidodecyl-diethyl-iodo-λ5-phosphane
PubChem CID140528028
Molecular FormulaC28H60IP
Molecular Weight554.67 g/mol
Exact Mass554.35
IUPAC Namedidodecyl-diethyl-iodo-λ5-phosphane
SMILESCCCCCCCCCCCCP(I)(CC)(CC)CCCCCCCCCCCC
InChIInChI=1S/C28H60IP/c1-5-9-11-13-15-17-19-21-23-25-27-30(29,7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2/h5-28H2,1-4H3
InChIKeyYRPXZMKLFJUTML-UHFFFAOYSA-N
XLogP11.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 511.77
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

diethyl-iodo-dipentyl-λ5-phosphane
CID 140527925
triethyl-iodo-nonyl-λ5-phosphane
CID 140527728
triethyl-hexyl-iodo-λ5-phosphane
CID 140527694
iodo-dipentyl-di(tetradecyl)-λ5-phosphane
CID 140527954
triheptyl-iodo-octyl-λ5-phosphane
CID 140527558
iodo-trioctyl-propyl-λ5-phosphane
CID 140528088
heptyl-iodo-tripropyl-λ5-phosphane
CID 140527815
butyl-triethyl-iodo-λ5-phosphane
CID 140527989
triheptyl-iodo-methyl-λ5-phosphane
CID 140527858
iodo-trimethyl-nonyl-λ5-phosphane
CID 140527821
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
iodomethane;octadecane
CID 174964097

Frequently Asked Questions

What is the IUPAC name of didodecyl-diethyl-iodo-λ5-phosphane?
The IUPAC name of didodecyl-diethyl-iodo-λ5-phosphane (CID 140528028) is didodecyl-diethyl-iodo-λ5-phosphane.
What is the SMILES notation for didodecyl-diethyl-iodo-λ5-phosphane?
The canonical SMILES for didodecyl-diethyl-iodo-λ5-phosphane is CCCCCCCCCCCCP(I)(CC)(CC)CCCCCCCCCCCC.
What is the InChIKey of didodecyl-diethyl-iodo-λ5-phosphane?
The InChIKey is YRPXZMKLFJUTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60IP/c1-5-9-11-13-15-17-19-21-23-25-27-30(29,7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2/h5-28H2,1-4H3.
What are the key properties of didodecyl-diethyl-iodo-λ5-phosphane?
didodecyl-diethyl-iodo-λ5-phosphane has a molecular weight of 554.67 g/mol, XLogP of 11.77, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl-diethyl-iodo-λ5-phosphane is sourced from PubChem (CID 140528028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).