diheptyl(pentan-3-yl)phosphane

C19H41P — CID 87508325

IUPACdiheptyl(pentan-3-yl)phosphane
SMILESCCCCCCCP(CCCCCCC)C(CC)CC
InChIInChI=1S/C19H41P/c1-5-9-11-13-15-17-20(19(7-3)8-4)18-16-14-12-10-6-2/h19H,5-18H2,1-4H3
InChIKeyUTHANJXIIBSIQK-UHFFFAOYSA-N
MW300.51 g/mol
LogP7.60
Rot. Bonds15

About diheptyl(pentan-3-yl)phosphane

diheptyl(pentan-3-yl)phosphane (PubChem CID 87508325) has the molecular formula C19H41P and a molecular weight of 300.51 g/mol. Its IUPAC name is diheptyl(pentan-3-yl)phosphane.

Molecular Properties

Compound Namediheptyl(pentan-3-yl)phosphane
PubChem CID87508325
Molecular FormulaC19H41P
Molecular Weight300.51 g/mol
Exact Mass300.29
IUPAC Namediheptyl(pentan-3-yl)phosphane
SMILESCCCCCCCP(CCCCCCC)C(CC)CC
InChIInChI=1S/C19H41P/c1-5-9-11-13-15-17-20(19(7-3)8-4)18-16-14-12-10-6-2/h19H,5-18H2,1-4H3
InChIKeyUTHANJXIIBSIQK-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 57.60
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

decan-3-yl(dioctyl)phosphane
CID 150488617
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
dodecan-5-yl(dioctyl)phosphane
CID 172795592
dihexyl(nonan-4-yl)phosphane
CID 172773657
diheptyl(propan-2-yl)phosphane
CID 22497662
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
butan-2-yl-heptan-3-yl-octylphosphane
CID 144962295
octacosane;sulfane
CID 157204687
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167

Frequently Asked Questions

What is the IUPAC name of diheptyl(pentan-3-yl)phosphane?
The IUPAC name of diheptyl(pentan-3-yl)phosphane (CID 87508325) is diheptyl(pentan-3-yl)phosphane.
What is the SMILES notation for diheptyl(pentan-3-yl)phosphane?
The canonical SMILES for diheptyl(pentan-3-yl)phosphane is CCCCCCCP(CCCCCCC)C(CC)CC.
What is the InChIKey of diheptyl(pentan-3-yl)phosphane?
The InChIKey is UTHANJXIIBSIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41P/c1-5-9-11-13-15-17-20(19(7-3)8-4)18-16-14-12-10-6-2/h19H,5-18H2,1-4H3.
What are the key properties of diheptyl(pentan-3-yl)phosphane?
diheptyl(pentan-3-yl)phosphane has a molecular weight of 300.51 g/mol, XLogP of 7.60, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diheptyl(pentan-3-yl)phosphane is sourced from PubChem (CID 87508325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).