triheptyl-iodo-methyl-λ5-phosphane

C22H48IP — CID 140527858

IUPACtriheptyl-iodo-methyl-λ5-phosphane
SMILESCCCCCCCP(C)(I)(CCCCCCC)CCCCCCC
InChIInChI=1S/C22H48IP/c1-5-8-11-14-17-20-24(4,23,21-18-15-12-9-6-2)22-19-16-13-10-7-3/h5-22H2,1-4H3
InChIKeyUHDAQYINPOYYNZ-UHFFFAOYSA-N
MW470.50 g/mol
LogP9.43
Rot. Bonds18

About triheptyl-iodo-methyl-λ5-phosphane

triheptyl-iodo-methyl-λ5-phosphane (PubChem CID 140527858) has the molecular formula C22H48IP and a molecular weight of 470.50 g/mol. Its IUPAC name is triheptyl-iodo-methyl-λ5-phosphane.

Molecular Properties

Compound Nametriheptyl-iodo-methyl-λ5-phosphane
PubChem CID140527858
Molecular FormulaC22H48IP
Molecular Weight470.50 g/mol
Exact Mass470.25
IUPAC Nametriheptyl-iodo-methyl-λ5-phosphane
SMILESCCCCCCCP(C)(I)(CCCCCCC)CCCCCCC
InChIInChI=1S/C22H48IP/c1-5-8-11-14-17-20-24(4,23,21-18-15-12-9-6-2)22-19-16-13-10-7-3/h5-22H2,1-4H3
InChIKeyUHDAQYINPOYYNZ-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 59.43
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-trimethyl-nonyl-λ5-phosphane
CID 140527821
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
triethyl-iodo-nonyl-λ5-phosphane
CID 140527728
didodecyl-diethyl-iodo-λ5-phosphane
CID 140528028
triethyl-hexyl-iodo-λ5-phosphane
CID 140527694
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
diethyl-iodo-dipentyl-λ5-phosphane
CID 140527925
bromo-trimethyl-tricosyl-λ5-phosphane
CID 140680177
chloro-trimethyl-tetracosyl-λ5-phosphane
CID 140680178

Frequently Asked Questions

What is the IUPAC name of triheptyl-iodo-methyl-λ5-phosphane?
The IUPAC name of triheptyl-iodo-methyl-λ5-phosphane (CID 140527858) is triheptyl-iodo-methyl-λ5-phosphane.
What is the SMILES notation for triheptyl-iodo-methyl-λ5-phosphane?
The canonical SMILES for triheptyl-iodo-methyl-λ5-phosphane is CCCCCCCP(C)(I)(CCCCCCC)CCCCCCC.
What is the InChIKey of triheptyl-iodo-methyl-λ5-phosphane?
The InChIKey is UHDAQYINPOYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48IP/c1-5-8-11-14-17-20-24(4,23,21-18-15-12-9-6-2)22-19-16-13-10-7-3/h5-22H2,1-4H3.
What are the key properties of triheptyl-iodo-methyl-λ5-phosphane?
triheptyl-iodo-methyl-λ5-phosphane has a molecular weight of 470.50 g/mol, XLogP of 9.43, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl-iodo-methyl-λ5-phosphane is sourced from PubChem (CID 140527858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).