prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate

C23H21O2P — CID 3653816

IUPACprop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILESC=CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21O2P/c1-2-18-25-23(24)19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,19H,1,18H2
InChIKeyJNQMUMNJRCNSAI-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.51
Rot. Bonds6

About prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate

prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate (PubChem CID 3653816) has the molecular formula C23H21O2P and a molecular weight of 360.39 g/mol. Its IUPAC name is prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
PubChem CID3653816
Molecular FormulaC23H21O2P
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Nameprop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILESC=CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21O2P/c1-2-18-25-23(24)19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,19H,1,18H2
InChIKeyJNQMUMNJRCNSAI-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.51
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

Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
CID 17453
Ethyl 2-(triphenylphosphoranylidene)propionate
CID 79792
Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
CID 70670
(Ethoxycarbonylmethyl)triphenylphosphonium bromide
CID 73731
Ethyltriphenylphosphonium acetate
CID 94470
Triphenylcarboxymethylphosphonium chloride
CID 202025
3-(Triphenylphosphoranyl)propanoic acid
CID 61357
(2-Ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium bromide
CID 3084511
2(3H)-Furanone, 3-(triphenylphosphoranylidene)-
CID 97111
(2-Methoxy-2-oxoethyl)triphenylphosphonium bromide
CID 494138
Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, bromide (1:1)
CID 2733211
Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride (1:1)
CID 87159

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
The IUPAC name of prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate (CID 3653816) is prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate.
What is the SMILES notation for prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
The canonical SMILES for prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate is C=CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
The InChIKey is JNQMUMNJRCNSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21O2P/c1-2-18-25-23(24)19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,19H,1,18H2.
What are the key properties of prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate?
prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate has a molecular weight of 360.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate is sourced from PubChem (CID 3653816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).