but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate

C24H23O2P — CID 142240737

IUPACbut-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC=CCCOC(=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/h2,4-18,20H,1,3,19H2
InChIKeyPQCRIUAJHKDSIT-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.90
Rot. Bonds7

About but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate

but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 142240737) has the molecular formula C24H23O2P and a molecular weight of 374.42 g/mol. Its IUPAC name is but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

Compound Namebut-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate
PubChem CID142240737
Molecular FormulaC24H23O2P
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namebut-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC=CCCOC(=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/h2,4-18,20H,1,3,19H2
InChIKeyPQCRIUAJHKDSIT-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate
CID 102278127
dideuteriomethanone;ethyl 3,3-dideuterioprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)acetate
CID 162263800
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
diethyl (2E,7E)-nona-2,7-dienedioate;ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;pentanedial
CID 159094990
bis(but-3-enyl) benzene-1,4-dicarboxylate
CID 67880179
but-3-enyl 2-diazo-2-phenylacetate
CID 122367366
but-3-enyl 4-phenylbut-3-ynoate
CID 175398861
but-3-enyl 3-phenyl-2H-azirine-2-carboxylate
CID 13131175
but-3-enyl 2-nitrobenzoate
CID 118039661
dec-9-enyl phenyl carbonate
CID 90888843

Frequently Asked Questions

What is the IUPAC name of but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate?
The IUPAC name of but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate (CID 142240737) is but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate.
What is the SMILES notation for but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate?
The canonical SMILES for but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate is C=CCCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate?
The InChIKey is PQCRIUAJHKDSIT-UHFFFAOYSA-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/h2,4-18,20H,1,3,19H2.
What are the key properties of but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate?
but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 374.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 142240737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).