3-methylpentan-3-yl(diphenyl)phosphane

C18H23P — CID 23414394

IUPAC3-methylpentan-3-yl(diphenyl)phosphane
SMILESCCC(C)(CC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23P/c1-4-18(3,5-2)19(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,4-5H2,1-3H3
InChIKeyXUVCQAKIOZLUAL-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.70
Rot. Bonds5

About 3-methylpentan-3-yl(diphenyl)phosphane

3-methylpentan-3-yl(diphenyl)phosphane (PubChem CID 23414394) has the molecular formula C18H23P and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-methylpentan-3-yl(diphenyl)phosphane.

Molecular Properties

Compound Name3-methylpentan-3-yl(diphenyl)phosphane
PubChem CID23414394
Molecular FormulaC18H23P
Molecular Weight270.36 g/mol
Exact Mass270.15
IUPAC Name3-methylpentan-3-yl(diphenyl)phosphane
SMILESCCC(C)(CC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23P/c1-4-18(3,5-2)19(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,4-5H2,1-3H3
InChIKeyXUVCQAKIOZLUAL-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.70
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

1-diphenylphosphanylethane-1,1-diol
CID 151023834
(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
CID 87672181
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
2-diphenylphosphanyl-2-methylpentanoic acid
CID 174669720
2,2-dimethylpropane;triphenylphosphane
CID 143924519
2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
CID 23403229
(S)-ethyl-methyl-phenylphosphane
CID 10909914
butane;triphenylphosphane
CID 161447439
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768
3,3-dimethylpentan-2-one;triphenylphosphane
CID 90841990
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-yl(diphenyl)phosphane?
The IUPAC name of 3-methylpentan-3-yl(diphenyl)phosphane (CID 23414394) is 3-methylpentan-3-yl(diphenyl)phosphane.
What is the SMILES notation for 3-methylpentan-3-yl(diphenyl)phosphane?
The canonical SMILES for 3-methylpentan-3-yl(diphenyl)phosphane is CCC(C)(CC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylpentan-3-yl(diphenyl)phosphane?
The InChIKey is XUVCQAKIOZLUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23P/c1-4-18(3,5-2)19(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,4-5H2,1-3H3.
What are the key properties of 3-methylpentan-3-yl(diphenyl)phosphane?
3-methylpentan-3-yl(diphenyl)phosphane has a molecular weight of 270.36 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-yl(diphenyl)phosphane is sourced from PubChem (CID 23414394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).