bis(2,4,4-trimethylpentyl)phosphane

C16H35P — CID 19428770

IUPACbis(2,4,4-trimethylpentyl)phosphane
SMILESCC(CPCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H35P/c1-13(9-15(3,4)5)11-17-12-14(2)10-16(6,7)8/h13-14,17H,9-12H2,1-8H3
InChIKeyOFGFUPAXBMLHGP-UHFFFAOYSA-N
MW258.43 g/mol
LogP5.81
Rot. Bonds6

About bis(2,4,4-trimethylpentyl)phosphane

bis(2,4,4-trimethylpentyl)phosphane (PubChem CID 19428770) has the molecular formula C16H35P and a molecular weight of 258.43 g/mol. Its IUPAC name is bis(2,4,4-trimethylpentyl)phosphane.

Molecular Properties

Compound Namebis(2,4,4-trimethylpentyl)phosphane
PubChem CID19428770
Molecular FormulaC16H35P
Molecular Weight258.43 g/mol
Exact Mass258.25
IUPAC Namebis(2,4,4-trimethylpentyl)phosphane
SMILESCC(CPCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H35P/c1-13(9-15(3,4)5)11-17-12-14(2)10-16(6,7)8/h13-14,17H,9-12H2,1-8H3
InChIKeyOFGFUPAXBMLHGP-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,4,4-trimethylpentyl)phosphane?
The IUPAC name of bis(2,4,4-trimethylpentyl)phosphane (CID 19428770) is bis(2,4,4-trimethylpentyl)phosphane.
What is the SMILES notation for bis(2,4,4-trimethylpentyl)phosphane?
The canonical SMILES for bis(2,4,4-trimethylpentyl)phosphane is CC(CPCC(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of bis(2,4,4-trimethylpentyl)phosphane?
The InChIKey is OFGFUPAXBMLHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35P/c1-13(9-15(3,4)5)11-17-12-14(2)10-16(6,7)8/h13-14,17H,9-12H2,1-8H3.
What are the key properties of bis(2,4,4-trimethylpentyl)phosphane?
bis(2,4,4-trimethylpentyl)phosphane has a molecular weight of 258.43 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,4-trimethylpentyl)phosphane is sourced from PubChem (CID 19428770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).