[[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane

C27H32P2 — CID 13378505

IUPAC[[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane
SMILESC/C=C/CP(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H32P2/c1-5-6-22-28(27(2,3)4)23-29(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h5-21,23H,22H2,1-4H3/b6-5+
InChIKeyKAQSLZIHZNFHCK-AATRIKPKSA-N
MW418.50 g/mol
LogP6.60
Rot. Bonds6

About [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane

[[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane (PubChem CID 13378505) has the molecular formula C27H32P2 and a molecular weight of 418.50 g/mol. Its IUPAC name is [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Name[[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane
PubChem CID13378505
Molecular FormulaC27H32P2
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane
SMILESC/C=C/CP(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H32P2/c1-5-6-22-28(27(2,3)4)23-29(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h5-21,23H,22H2,1-4H3/b6-5+
InChIKeyKAQSLZIHZNFHCK-AATRIKPKSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane?
The IUPAC name of [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane (CID 13378505) is [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane.
What is the SMILES notation for [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane?
The canonical SMILES for [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane is C/C=C/CP(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane?
The InChIKey is KAQSLZIHZNFHCK-AATRIKPKSA-N. The full InChI is InChI=1S/C27H32P2/c1-5-6-22-28(27(2,3)4)23-29(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h5-21,23H,22H2,1-4H3/b6-5+.
What are the key properties of [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane?
[[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane has a molecular weight of 418.50 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-but-2-enyl]-tert-butylphosphanyl]methylidene-triphenyl-lambda5-phosphane is sourced from PubChem (CID 13378505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).