heptyl-iodo-tripropyl-λ5-phosphane

C16H36IP — CID 140527815

IUPACheptyl-iodo-tripropyl-λ5-phosphane
SMILESCCCCCCCP(I)(CCC)(CCC)CCC
InChIInChI=1S/C16H36IP/c1-5-9-10-11-12-16-18(17,13-6-2,14-7-3)15-8-4/h5-16H2,1-4H3
InChIKeySUCQMGHQUCNYSW-UHFFFAOYSA-N
MW386.34 g/mol
LogP7.09
Rot. Bonds12

About heptyl-iodo-tripropyl-λ5-phosphane

heptyl-iodo-tripropyl-λ5-phosphane (PubChem CID 140527815) has the molecular formula C16H36IP and a molecular weight of 386.34 g/mol. Its IUPAC name is heptyl-iodo-tripropyl-λ5-phosphane.

Molecular Properties

Compound Nameheptyl-iodo-tripropyl-λ5-phosphane
PubChem CID140527815
Molecular FormulaC16H36IP
Molecular Weight386.34 g/mol
Exact Mass386.16
IUPAC Nameheptyl-iodo-tripropyl-λ5-phosphane
SMILESCCCCCCCP(I)(CCC)(CCC)CCC
InChIInChI=1S/C16H36IP/c1-5-9-10-11-12-16-18(17,13-6-2,14-7-3)15-8-4/h5-16H2,1-4H3
InChIKeySUCQMGHQUCNYSW-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.34
LogP ≤ 57.09
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-trioctyl-propyl-λ5-phosphane
CID 140528088
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 heptyl-iodo-tripropyl-λ5-phosphane?
The IUPAC name of heptyl-iodo-tripropyl-λ5-phosphane (CID 140527815) is heptyl-iodo-tripropyl-λ5-phosphane.
What is the SMILES notation for heptyl-iodo-tripropyl-λ5-phosphane?
The canonical SMILES for heptyl-iodo-tripropyl-λ5-phosphane is CCCCCCCP(I)(CCC)(CCC)CCC.
What is the InChIKey of heptyl-iodo-tripropyl-λ5-phosphane?
The InChIKey is SUCQMGHQUCNYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36IP/c1-5-9-10-11-12-16-18(17,13-6-2,14-7-3)15-8-4/h5-16H2,1-4H3.
What are the key properties of heptyl-iodo-tripropyl-λ5-phosphane?
heptyl-iodo-tripropyl-λ5-phosphane has a molecular weight of 386.34 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-iodo-tripropyl-λ5-phosphane is sourced from PubChem (CID 140527815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).