bis(2,5-dimethylhexyl)phosphane

C16H35P — CID 155095362

IUPACbis(2,5-dimethylhexyl)phosphane
SMILESCC(C)CCC(C)CPCC(C)CCC(C)C
InChIInChI=1S/C16H35P/c1-13(2)7-9-15(5)11-17-12-16(6)10-8-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyXHSYOYFIJPNDKR-UHFFFAOYSA-N
MW258.43 g/mol
LogP5.81
Rot. Bonds10

About bis(2,5-dimethylhexyl)phosphane

bis(2,5-dimethylhexyl)phosphane (PubChem CID 155095362) has the molecular formula C16H35P and a molecular weight of 258.43 g/mol. Its IUPAC name is bis(2,5-dimethylhexyl)phosphane.

Molecular Properties

Compound Namebis(2,5-dimethylhexyl)phosphane
PubChem CID155095362
Molecular FormulaC16H35P
Molecular Weight258.43 g/mol
Exact Mass258.25
IUPAC Namebis(2,5-dimethylhexyl)phosphane
SMILESCC(C)CCC(C)CPCC(C)CCC(C)C
InChIInChI=1S/C16H35P/c1-13(2)7-9-15(5)11-17-12-16(6)10-8-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyXHSYOYFIJPNDKR-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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'}

Analyze bis(2,5-dimethylhexyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methylpentyl)phosphane;hydrochloride
CID 155095340
sodium bis(2-methylpropyl)phosphane
CID 172848163
2,5-dimethylheptane
CID 90756934
2,5-dimethylheptane;propane
CID 145235091
2,5,9,13-tetramethyltetradecane
CID 58292409
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
CID 19083274
5-methylhexane-2-thiol
CID 43124113
2-bromo-4,7-dimethyloctane
CID 64718592
bis(2,4,4-trimethylpentyl)phosphane
CID 19428770
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2,5-dimethylhexyl-methyl-(2-methylbutyl)borane
CID 123923562

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylhexyl)phosphane?
The IUPAC name of bis(2,5-dimethylhexyl)phosphane (CID 155095362) is bis(2,5-dimethylhexyl)phosphane.
What is the SMILES notation for bis(2,5-dimethylhexyl)phosphane?
The canonical SMILES for bis(2,5-dimethylhexyl)phosphane is CC(C)CCC(C)CPCC(C)CCC(C)C.
What is the InChIKey of bis(2,5-dimethylhexyl)phosphane?
The InChIKey is XHSYOYFIJPNDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35P/c1-13(2)7-9-15(5)11-17-12-16(6)10-8-14(3)4/h13-17H,7-12H2,1-6H3.
What are the key properties of bis(2,5-dimethylhexyl)phosphane?
bis(2,5-dimethylhexyl)phosphane has a molecular weight of 258.43 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylhexyl)phosphane is sourced from PubChem (CID 155095362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).