2,2-dimethylhexyl(diphenyl)phosphane

C20H27P — CID 143507399

IUPAC2,2-dimethylhexyl(diphenyl)phosphane
SMILESCCCCC(C)(C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27P/c1-4-5-16-20(2,3)17-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKeyZFHLZSMAVVLBNH-UHFFFAOYSA-N
MW298.41 g/mol
LogP5.34
Rot. Bonds7

About 2,2-dimethylhexyl(diphenyl)phosphane

2,2-dimethylhexyl(diphenyl)phosphane (PubChem CID 143507399) has the molecular formula C20H27P and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,2-dimethylhexyl(diphenyl)phosphane.

Molecular Properties

Compound Name2,2-dimethylhexyl(diphenyl)phosphane
PubChem CID143507399
Molecular FormulaC20H27P
Molecular Weight298.41 g/mol
Exact Mass298.19
IUPAC Name2,2-dimethylhexyl(diphenyl)phosphane
SMILESCCCCC(C)(C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27P/c1-4-5-16-20(2,3)17-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKeyZFHLZSMAVVLBNH-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
CID 143507398
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
carbon monoxide;chromium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
CID 134898996
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479
magnesium;butyl-tert-butyl-phenylphosphane;dichloride
CID 174942565
3,3-dimethyltetradecylbenzene
CID 141108755

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexyl(diphenyl)phosphane?
The IUPAC name of 2,2-dimethylhexyl(diphenyl)phosphane (CID 143507399) is 2,2-dimethylhexyl(diphenyl)phosphane.
What is the SMILES notation for 2,2-dimethylhexyl(diphenyl)phosphane?
The canonical SMILES for 2,2-dimethylhexyl(diphenyl)phosphane is CCCCC(C)(C)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethylhexyl(diphenyl)phosphane?
The InChIKey is ZFHLZSMAVVLBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27P/c1-4-5-16-20(2,3)17-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3.
What are the key properties of 2,2-dimethylhexyl(diphenyl)phosphane?
2,2-dimethylhexyl(diphenyl)phosphane has a molecular weight of 298.41 g/mol, XLogP of 5.34, 7 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 is sourced from PubChem (CID 143507399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).