2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane

C37H48P2 — CID 143507398

IUPAC2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
SMILESCCCCC(C)(C)CP(c1ccccc1)c1ccccc1.CCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27P.C17H21P/c1-4-5-16-20(2,3)17-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h6-15H,4-5,16-17H2,1-3H3;4-9,11-14H,2-3,10,15H2,1H3
InChIKeyIWJSLXPJKSZDOB-UHFFFAOYSA-N
MW554.74 g/mol
LogP9.65
Rot. Bonds13

About 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane

2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane (PubChem CID 143507398) has the molecular formula C37H48P2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane.

Molecular Properties

Compound Name2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
PubChem CID143507398
Molecular FormulaC37H48P2
Molecular Weight554.74 g/mol
Exact Mass554.32
IUPAC Name2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
SMILESCCCCC(C)(C)CP(c1ccccc1)c1ccccc1.CCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27P.C17H21P/c1-4-5-16-20(2,3)17-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h6-15H,4-5,16-17H2,1-3H3;4-9,11-14H,2-3,10,15H2,1H3
InChIKeyIWJSLXPJKSZDOB-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 59.65
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

2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
dipentyl(phenyl)phosphane
CID 3085487
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
hexadecyl(phenyl)phosphinous acid
CID 22292084
butyl(2-diphenylphosphanylethyl)azanium chloride
CID 11427235

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane?
The IUPAC name of 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane (CID 143507398) is 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane.
What is the SMILES notation for 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane?
The canonical SMILES for 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane is CCCCC(C)(C)CP(c1ccccc1)c1ccccc1.CCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane?
The InChIKey is IWJSLXPJKSZDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27P.C17H21P/c1-4-5-16-20(2,3)17-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h6-15H,4-5,16-17H2,1-3H3;4-9,11-14H,2-3,10,15H2,1H3.
What are the key properties of 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane?
2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane has a molecular weight of 554.74 g/mol, XLogP of 9.65, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane is sourced from PubChem (CID 143507398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).