trioctylphosphane

C24H51P — CID 20851

IUPACtrioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKeyRMZAYIKUYWXQPB-UHFFFAOYSA-N
MW370.65 g/mol
LogP9.55
Rot. Bonds21

About trioctylphosphane

trioctylphosphane (PubChem CID 20851) has the molecular formula C24H51P and a molecular weight of 370.65 g/mol. Its IUPAC name is trioctylphosphane.

Molecular Properties

Compound Nametrioctylphosphane
PubChem CID20851
Molecular FormulaC24H51P
Molecular Weight370.65 g/mol
Exact Mass370.37
IUPAC Nametrioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKeyRMZAYIKUYWXQPB-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 59.55
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 trioctylphosphane?
The IUPAC name of trioctylphosphane (CID 20851) is trioctylphosphane.
What is the SMILES notation for trioctylphosphane?
The canonical SMILES for trioctylphosphane is CCCCCCCCP(CCCCCCCC)CCCCCCCC.
What is the InChIKey of trioctylphosphane?
The InChIKey is RMZAYIKUYWXQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3.
What are the key properties of trioctylphosphane?
trioctylphosphane has a molecular weight of 370.65 g/mol, XLogP of 9.55, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trioctylphosphane is sourced from PubChem (CID 20851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).