[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane

C31H34P2 — CID 22052782

IUPAC[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
SMILESCCC(CC)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H34P2/c1-3-31(4-2,25-32(27-17-9-5-10-18-27)28-19-11-6-12-20-28)26-33(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24H,3-4,25-26H2,1-2H3
InChIKeyJMIFASIKNNFVDE-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.06
Rot. Bonds10

About [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane

[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane (PubChem CID 22052782) has the molecular formula C31H34P2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
PubChem CID22052782
Molecular FormulaC31H34P2
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
SMILESCCC(CC)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H34P2/c1-3-31(4-2,25-32(27-17-9-5-10-18-27)28-19-11-6-12-20-28)26-33(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24H,3-4,25-26H2,1-2H3
InChIKeyJMIFASIKNNFVDE-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane?
The IUPAC name of [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane (CID 22052782) is [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane.
What is the SMILES notation for [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane?
The canonical SMILES for [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane is CCC(CC)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane?
The InChIKey is JMIFASIKNNFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34P2/c1-3-31(4-2,25-32(27-17-9-5-10-18-27)28-19-11-6-12-20-28)26-33(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24H,3-4,25-26H2,1-2H3.
What are the key properties of [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane?
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane has a molecular weight of 468.56 g/mol, XLogP of 7.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane is sourced from PubChem (CID 22052782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).