[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane

C33H38P2 — CID 22672805

IUPAC[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
SMILESCC(C)C(C)(C(C)P(c1ccccc1)c1ccccc1)C(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38P2/c1-26(2)33(5,27(3)34(29-18-10-6-11-19-29)30-20-12-7-13-21-30)28(4)35(31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-28H,1-5H3
InChIKeySKHRPWSBFZHUJT-UHFFFAOYSA-N
MW496.62 g/mol
LogP7.69
Rot. Bonds9

About [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane

[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane (PubChem CID 22672805) has the molecular formula C33H38P2 and a molecular weight of 496.62 g/mol. Its IUPAC name is [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
PubChem CID22672805
Molecular FormulaC33H38P2
Molecular Weight496.62 g/mol
Exact Mass496.24
IUPAC Name[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
SMILESCC(C)C(C)(C(C)P(c1ccccc1)c1ccccc1)C(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38P2/c1-26(2)33(5,27(3)34(29-18-10-6-11-19-29)30-20-12-7-13-21-30)28(4)35(31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-28H,1-5H3
InChIKeySKHRPWSBFZHUJT-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 57.69
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

[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
CID 87282083
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
bis(3,3-dimethylbutan-2-yl)-phenylphosphane
CID 174333758
1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron
CID 87995622
(2R)-2-diphenylphosphanyl-N,N,3,3-tetramethylbutan-1-amine
CID 18611548
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768
1-diphenylphosphanylethanesulfonamide
CID 174898207
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
2,2-dimethylpropane;triphenylphosphane
CID 143924519
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
2-diphenylphosphanylpropanoic acid
CID 14902743

Frequently Asked Questions

What is the IUPAC name of [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane?
The IUPAC name of [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane (CID 22672805) is [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane.
What is the SMILES notation for [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane?
The canonical SMILES for [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane is CC(C)C(C)(C(C)P(c1ccccc1)c1ccccc1)C(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane?
The InChIKey is SKHRPWSBFZHUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38P2/c1-26(2)33(5,27(3)34(29-18-10-6-11-19-29)30-20-12-7-13-21-30)28(4)35(31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-28H,1-5H3.
What are the key properties of [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane?
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane has a molecular weight of 496.62 g/mol, XLogP of 7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane is sourced from PubChem (CID 22672805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).