[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane

C31H32P2 — CID 11605137

IUPAC[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane
SMILESCC(C)CC/C(=C/P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32P2/c1-26(2)23-24-31(33(29-19-11-5-12-20-29)30-21-13-6-14-22-30)25-32(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-22,25-26H,23-24H2,1-2H3/b31-25-
InChIKeySMJWNDKVQWSCMS-GDWJVWIDSA-N
MW466.55 g/mol
LogP7.53
Rot. Bonds9

About [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane

[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane (PubChem CID 11605137) has the molecular formula C31H32P2 and a molecular weight of 466.55 g/mol. Its IUPAC name is [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane
PubChem CID11605137
Molecular FormulaC31H32P2
Molecular Weight466.55 g/mol
Exact Mass466.20
IUPAC Name[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane
SMILESCC(C)CC/C(=C/P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32P2/c1-26(2)23-24-31(33(29-19-11-5-12-20-29)30-21-13-6-14-22-30)25-32(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-22,25-26H,23-24H2,1-2H3/b31-25-
InChIKeySMJWNDKVQWSCMS-GDWJVWIDSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 57.53
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 [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane?
The IUPAC name of [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane (CID 11605137) is [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane.
What is the SMILES notation for [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane?
The canonical SMILES for [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane is CC(C)CC/C(=C/P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane?
The InChIKey is SMJWNDKVQWSCMS-GDWJVWIDSA-N. The full InChI is InChI=1S/C31H32P2/c1-26(2)23-24-31(33(29-19-11-5-12-20-29)30-21-13-6-14-22-30)25-32(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-22,25-26H,23-24H2,1-2H3/b31-25-.
What are the key properties of [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane?
[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane has a molecular weight of 466.55 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane is sourced from PubChem (CID 11605137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).