diphosphanyl(heptan-2-yl)phosphane

C7H19P3 — CID 20773286

IUPACdiphosphanyl(heptan-2-yl)phosphane
SMILESCCCCCC(C)PPP
InChIInChI=1S/C7H19P3/c1-3-4-5-6-7(2)9-10-8/h7,9-10H,3-6,8H2,1-2H3
InChIKeyGCPXKBLULMAQSS-UHFFFAOYSA-N
MW196.15 g/mol
LogP4.02
Rot. Bonds6

About diphosphanyl(heptan-2-yl)phosphane

diphosphanyl(heptan-2-yl)phosphane (PubChem CID 20773286) has the molecular formula C7H19P3 and a molecular weight of 196.15 g/mol. Its IUPAC name is diphosphanyl(heptan-2-yl)phosphane.

Molecular Properties

Compound Namediphosphanyl(heptan-2-yl)phosphane
PubChem CID20773286
Molecular FormulaC7H19P3
Molecular Weight196.15 g/mol
Exact Mass196.07
IUPAC Namediphosphanyl(heptan-2-yl)phosphane
SMILESCCCCCC(C)PPP
InChIInChI=1S/C7H19P3/c1-3-4-5-6-7(2)9-10-8/h7,9-10H,3-6,8H2,1-2H3
InChIKeyGCPXKBLULMAQSS-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of diphosphanyl(heptan-2-yl)phosphane?
The IUPAC name of diphosphanyl(heptan-2-yl)phosphane (CID 20773286) is diphosphanyl(heptan-2-yl)phosphane.
What is the SMILES notation for diphosphanyl(heptan-2-yl)phosphane?
The canonical SMILES for diphosphanyl(heptan-2-yl)phosphane is CCCCCC(C)PPP.
What is the InChIKey of diphosphanyl(heptan-2-yl)phosphane?
The InChIKey is GCPXKBLULMAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19P3/c1-3-4-5-6-7(2)9-10-8/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of diphosphanyl(heptan-2-yl)phosphane?
diphosphanyl(heptan-2-yl)phosphane has a molecular weight of 196.15 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphanyl(heptan-2-yl)phosphane is sourced from PubChem (CID 20773286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).