diheptylphosphane

C14H31P — CID 14747428

IUPACdiheptylphosphane
SMILESCCCCCCCPCCCCCCC
InChIInChI=1S/C14H31P/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyAMLYVPCLTBDQOA-UHFFFAOYSA-N
MW230.38 g/mol
LogP5.61
Rot. Bonds12

About diheptylphosphane

diheptylphosphane (PubChem CID 14747428) has the molecular formula C14H31P and a molecular weight of 230.38 g/mol. Its IUPAC name is diheptylphosphane.

Molecular Properties

Compound Namediheptylphosphane
PubChem CID14747428
Molecular FormulaC14H31P
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Namediheptylphosphane
SMILESCCCCCCCPCCCCCCC
InChIInChI=1S/C14H31P/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyAMLYVPCLTBDQOA-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.38
LogP ≤ 55.61
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

Decyltrimethylphosphonium chloride
CID 76315520
Dioctylphosphine
CID 13810225
Phosphine, octyl-
CID 446269
Phosphine, dihexyl-
CID 11206692
Dipentylphosphine
CID 11105867
Ethylhexyl phosphine
CID 16689355
Heptylphosphine
CID 2785193
Dodecylphosphine
CID 11367685
n-Nonylphosphin
CID 12524104
n-Tetradecylphosphin
CID 12524105
Decanephosphine
CID 14962376
Diheptyldithiophosphinic acid
CID 15607609

Frequently Asked Questions

What is the IUPAC name of diheptylphosphane?
The IUPAC name of diheptylphosphane (CID 14747428) is diheptylphosphane.
What is the SMILES notation for diheptylphosphane?
The canonical SMILES for diheptylphosphane is CCCCCCCPCCCCCCC.
What is the InChIKey of diheptylphosphane?
The InChIKey is AMLYVPCLTBDQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of diheptylphosphane?
diheptylphosphane has a molecular weight of 230.38 g/mol, XLogP of 5.61, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diheptylphosphane is sourced from PubChem (CID 14747428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).