[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate

C24H23O2P — CID 102278127

IUPAC[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC/C=C/COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23O2P/c1-2-3-19-26-24(25)20-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h2-18,20H,19H2,1H3/b3-2+
InChIKeyOODSPGDDTYBVGO-NSCUHMNNSA-N
MW374.42 g/mol
LogP3.90
Rot. Bonds6

About [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate

[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 102278127) has the molecular formula C24H23O2P and a molecular weight of 374.42 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate
PubChem CID102278127
Molecular FormulaC24H23O2P
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC/C=C/COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23O2P/c1-2-3-19-26-24(25)20-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h2-18,20H,19H2,1H3/b3-2+
InChIKeyOODSPGDDTYBVGO-NSCUHMNNSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
CID 3653816
1-but-2-enoxy-3-(triphenyl-λ5-phosphanylidene)propan-2-one
CID 71324829
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate
CID 142240737
dideuteriomethanone;ethyl 3,3-dideuterioprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)acetate
CID 162263800
[(E)-but-2-enyl] benzoate
CID 5352600
diethyl (2E,7E)-nona-2,7-dienedioate;ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;pentanedial
CID 159094990
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
methyl 4-oxo-5-(triphenyl-λ5-phosphanylidene)pentanoate;hydrobromide
CID 146120929
2-[2-[(E)-but-2-enoxy]phenyl]acetic acid
CID 80742416
ethyl 2-deuterio-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 15619264

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate?
The IUPAC name of [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate (CID 102278127) is [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate.
What is the SMILES notation for [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate?
The canonical SMILES for [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate is C/C=C/COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate?
The InChIKey is OODSPGDDTYBVGO-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H23O2P/c1-2-3-19-26-24(25)20-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h2-18,20H,19H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate?
[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 374.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 102278127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).