triethyl-hexyl-iodo-λ5-phosphane

C12H28IP — CID 140527694

IUPACtriethyl-hexyl-iodo-λ5-phosphane
SMILESCCCCCCP(I)(CC)(CC)CC
InChIInChI=1S/C12H28IP/c1-5-9-10-11-12-14(13,6-2,7-3)8-4/h5-12H2,1-4H3
InChIKeyQKMYRSOSDVFRRZ-UHFFFAOYSA-N
MW330.23 g/mol
LogP5.53
Rot. Bonds8

About triethyl-hexyl-iodo-λ5-phosphane

triethyl-hexyl-iodo-λ5-phosphane (PubChem CID 140527694) has the molecular formula C12H28IP and a molecular weight of 330.23 g/mol. Its IUPAC name is triethyl-hexyl-iodo-λ5-phosphane.

Molecular Properties

Compound Nametriethyl-hexyl-iodo-λ5-phosphane
PubChem CID140527694
Molecular FormulaC12H28IP
Molecular Weight330.23 g/mol
Exact Mass330.10
IUPAC Nametriethyl-hexyl-iodo-λ5-phosphane
SMILESCCCCCCP(I)(CC)(CC)CC
InChIInChI=1S/C12H28IP/c1-5-9-10-11-12-14(13,6-2,7-3)8-4/h5-12H2,1-4H3
InChIKeyQKMYRSOSDVFRRZ-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.23
LogP ≤ 55.53
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

triethyl-iodo-nonyl-λ5-phosphane
CID 140527728
didodecyl-diethyl-iodo-λ5-phosphane
CID 140528028
diethyl-iodo-dipentyl-λ5-phosphane
CID 140527925
butyl-triethyl-iodo-λ5-phosphane
CID 140527989
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
iodo-trimethyl-nonyl-λ5-phosphane
CID 140527821
triheptyl-iodo-methyl-λ5-phosphane
CID 140527858
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
iodomethane;octadecane
CID 174964097

Frequently Asked Questions

What is the IUPAC name of triethyl-hexyl-iodo-λ5-phosphane?
The IUPAC name of triethyl-hexyl-iodo-λ5-phosphane (CID 140527694) is triethyl-hexyl-iodo-λ5-phosphane.
What is the SMILES notation for triethyl-hexyl-iodo-λ5-phosphane?
The canonical SMILES for triethyl-hexyl-iodo-λ5-phosphane is CCCCCCP(I)(CC)(CC)CC.
What is the InChIKey of triethyl-hexyl-iodo-λ5-phosphane?
The InChIKey is QKMYRSOSDVFRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28IP/c1-5-9-10-11-12-14(13,6-2,7-3)8-4/h5-12H2,1-4H3.
What are the key properties of triethyl-hexyl-iodo-λ5-phosphane?
triethyl-hexyl-iodo-λ5-phosphane has a molecular weight of 330.23 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-hexyl-iodo-λ5-phosphane is sourced from PubChem (CID 140527694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).