2-diheptylphosphanylethyl(diheptyl)phosphane

C30H64P2 — CID 90110075

IUPAC2-diheptylphosphanylethyl(diheptyl)phosphane
SMILESCCCCCCCP(CCCCCCC)CCP(CCCCCCC)CCCCCCC
InChIInChI=1S/C30H64P2/c1-5-9-13-17-21-25-31(26-22-18-14-10-6-2)29-30-32(27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-30H2,1-4H3
InChIKeyBZBSNHHVYIUGSQ-UHFFFAOYSA-N
MW486.79 g/mol
LogP11.83
Rot. Bonds27

About 2-diheptylphosphanylethyl(diheptyl)phosphane

2-diheptylphosphanylethyl(diheptyl)phosphane (PubChem CID 90110075) has the molecular formula C30H64P2 and a molecular weight of 486.79 g/mol. Its IUPAC name is 2-diheptylphosphanylethyl(diheptyl)phosphane.

Molecular Properties

Compound Name2-diheptylphosphanylethyl(diheptyl)phosphane
PubChem CID90110075
Molecular FormulaC30H64P2
Molecular Weight486.79 g/mol
Exact Mass486.45
IUPAC Name2-diheptylphosphanylethyl(diheptyl)phosphane
SMILESCCCCCCCP(CCCCCCC)CCP(CCCCCCC)CCCCCCC
InChIInChI=1S/C30H64P2/c1-5-9-13-17-21-25-31(26-22-18-14-10-6-2)29-30-32(27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-30H2,1-4H3
InChIKeyBZBSNHHVYIUGSQ-UHFFFAOYSA-N
XLogP11.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
tris(trioctylphosphane);tungsten
CID 158972203
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
cadmium;selane;trioctylphosphane
CID 174961482
bromomethane;trioctylphosphane
CID 175266178
azane;trioctylphosphane;hydrobromide
CID 174675093

Frequently Asked Questions

What is the IUPAC name of 2-diheptylphosphanylethyl(diheptyl)phosphane?
The IUPAC name of 2-diheptylphosphanylethyl(diheptyl)phosphane (CID 90110075) is 2-diheptylphosphanylethyl(diheptyl)phosphane.
What is the SMILES notation for 2-diheptylphosphanylethyl(diheptyl)phosphane?
The canonical SMILES for 2-diheptylphosphanylethyl(diheptyl)phosphane is CCCCCCCP(CCCCCCC)CCP(CCCCCCC)CCCCCCC.
What is the InChIKey of 2-diheptylphosphanylethyl(diheptyl)phosphane?
The InChIKey is BZBSNHHVYIUGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64P2/c1-5-9-13-17-21-25-31(26-22-18-14-10-6-2)29-30-32(27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-30H2,1-4H3.
What are the key properties of 2-diheptylphosphanylethyl(diheptyl)phosphane?
2-diheptylphosphanylethyl(diheptyl)phosphane has a molecular weight of 486.79 g/mol, XLogP of 11.83, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diheptylphosphanylethyl(diheptyl)phosphane is sourced from PubChem (CID 90110075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).