phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate

C15H14O5 — CID 141076138

IUPACphenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate
SMILESC=CC(=O)OCCC(=C=O)CC(=O)Oc1ccccc1
InChIInChI=1S/C15H14O5/c1-2-14(17)19-9-8-12(11-16)10-15(18)20-13-6-4-3-5-7-13/h2-7H,1,8-10H2
InChIKeyXDCSGGVQBHEVJP-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.86
Rot. Bonds7

About phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate

phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate (PubChem CID 141076138) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate.

Molecular Properties

Compound Namephenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate
PubChem CID141076138
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namephenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate
SMILESC=CC(=O)OCCC(=C=O)CC(=O)Oc1ccccc1
InChIInChI=1S/C15H14O5/c1-2-14(17)19-9-8-12(11-16)10-15(18)20-13-6-4-3-5-7-13/h2-7H,1,8-10H2
InChIKeyXDCSGGVQBHEVJP-UHFFFAOYSA-N
XLogP1.86
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
phenyl prop-2-enoate;triphenylene
CID 159225619
3-O-[4-(4-cyanophenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) propanedioate
CID 175624912
[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate
CID 151965327
3-oxo-3-phenoxypropanoic acid
CID 3015801
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
[(Z)-3-chloro-4-phenylbut-3-enyl] prop-2-enoate
CID 141217018
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
4-oxo-4-[2-phenoxy-3-(2-prop-2-enoyloxyethoxy)propoxy]butanoic acid
CID 20588159
(4-methylphenyl) 7-prop-2-enoyloxyheptanoate
CID 21049752

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate?
The IUPAC name of phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate (CID 141076138) is phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate.
What is the SMILES notation for phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate?
The canonical SMILES for phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate is C=CC(=O)OCCC(=C=O)CC(=O)Oc1ccccc1.
What is the InChIKey of phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate?
The InChIKey is XDCSGGVQBHEVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-2-14(17)19-9-8-12(11-16)10-15(18)20-13-6-4-3-5-7-13/h2-7H,1,8-10H2.
What are the key properties of phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate?
phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate has a molecular weight of 274.27 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate is sourced from PubChem (CID 141076138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).