triheptyl-iodo-octyl-λ5-phosphane

C29H62IP — CID 140527558

IUPACtriheptyl-iodo-octyl-λ5-phosphane
SMILESCCCCCCCCP(I)(CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C29H62IP/c1-5-9-13-17-21-25-29-31(30,26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-29H2,1-4H3
InChIKeyJAQDRGKTLLEJID-UHFFFAOYSA-N
MW568.69 g/mol
LogP12.16
Rot. Bonds25

About triheptyl-iodo-octyl-λ5-phosphane

triheptyl-iodo-octyl-λ5-phosphane (PubChem CID 140527558) has the molecular formula C29H62IP and a molecular weight of 568.69 g/mol. Its IUPAC name is triheptyl-iodo-octyl-λ5-phosphane.

Molecular Properties

Compound Nametriheptyl-iodo-octyl-λ5-phosphane
PubChem CID140527558
Molecular FormulaC29H62IP
Molecular Weight568.69 g/mol
Exact Mass568.36
IUPAC Nametriheptyl-iodo-octyl-λ5-phosphane
SMILESCCCCCCCCP(I)(CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C29H62IP/c1-5-9-13-17-21-25-29-31(30,26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-29H2,1-4H3
InChIKeyJAQDRGKTLLEJID-UHFFFAOYSA-N
XLogP12.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.69
LogP ≤ 512.16
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-dipentyl-di(tetradecyl)-λ5-phosphane
CID 140527954
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 triheptyl-iodo-octyl-λ5-phosphane?
The IUPAC name of triheptyl-iodo-octyl-λ5-phosphane (CID 140527558) is triheptyl-iodo-octyl-λ5-phosphane.
What is the SMILES notation for triheptyl-iodo-octyl-λ5-phosphane?
The canonical SMILES for triheptyl-iodo-octyl-λ5-phosphane is CCCCCCCCP(I)(CCCCCCC)(CCCCCCC)CCCCCCC.
What is the InChIKey of triheptyl-iodo-octyl-λ5-phosphane?
The InChIKey is JAQDRGKTLLEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62IP/c1-5-9-13-17-21-25-29-31(30,26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-29H2,1-4H3.
What are the key properties of triheptyl-iodo-octyl-λ5-phosphane?
triheptyl-iodo-octyl-λ5-phosphane has a molecular weight of 568.69 g/mol, XLogP of 12.16, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl-iodo-octyl-λ5-phosphane is sourced from PubChem (CID 140527558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).