diheptyl(propan-2-yl)phosphane

C17H37P — CID 22497662

IUPACdiheptyl(propan-2-yl)phosphane
SMILESCCCCCCCP(CCCCCCC)C(C)C
InChIInChI=1S/C17H37P/c1-5-7-9-11-13-15-18(17(3)4)16-14-12-10-8-6-2/h17H,5-16H2,1-4H3
InChIKeyDNJWGDRCDNRDIL-UHFFFAOYSA-N
MW272.46 g/mol
LogP6.82
Rot. Bonds13

About diheptyl(propan-2-yl)phosphane

diheptyl(propan-2-yl)phosphane (PubChem CID 22497662) has the molecular formula C17H37P and a molecular weight of 272.46 g/mol. Its IUPAC name is diheptyl(propan-2-yl)phosphane.

Molecular Properties

Compound Namediheptyl(propan-2-yl)phosphane
PubChem CID22497662
Molecular FormulaC17H37P
Molecular Weight272.46 g/mol
Exact Mass272.26
IUPAC Namediheptyl(propan-2-yl)phosphane
SMILESCCCCCCCP(CCCCCCC)C(C)C
InChIInChI=1S/C17H37P/c1-5-7-9-11-13-15-18(17(3)4)16-14-12-10-8-6-2/h17H,5-16H2,1-4H3
InChIKeyDNJWGDRCDNRDIL-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.46
LogP ≤ 56.82
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

diheptyl(pentan-3-yl)phosphane
CID 87508325
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
dodecan-5-yl(dioctyl)phosphane
CID 172795592
octacosane;sulfane
CID 157204687
dihexyl(nonan-4-yl)phosphane
CID 172773657
decan-3-yl(dioctyl)phosphane
CID 150488617
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526

Frequently Asked Questions

What is the IUPAC name of diheptyl(propan-2-yl)phosphane?
The IUPAC name of diheptyl(propan-2-yl)phosphane (CID 22497662) is diheptyl(propan-2-yl)phosphane.
What is the SMILES notation for diheptyl(propan-2-yl)phosphane?
The canonical SMILES for diheptyl(propan-2-yl)phosphane is CCCCCCCP(CCCCCCC)C(C)C.
What is the InChIKey of diheptyl(propan-2-yl)phosphane?
The InChIKey is DNJWGDRCDNRDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37P/c1-5-7-9-11-13-15-18(17(3)4)16-14-12-10-8-6-2/h17H,5-16H2,1-4H3.
What are the key properties of diheptyl(propan-2-yl)phosphane?
diheptyl(propan-2-yl)phosphane has a molecular weight of 272.46 g/mol, XLogP of 6.82, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diheptyl(propan-2-yl)phosphane is sourced from PubChem (CID 22497662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).