ethenyl benzoate

C18H16O4 — CID 158178912

IUPACethenyl benzoate
SMILESC=COC(=O)c1ccccc1.C=COC(=O)c1ccccc1
InChIInChI=1S/2C9H8O2/c2*1-2-11-9(10)8-6-4-3-5-7-8/h2*2-7H,1H2
InChIKeyFYILYUZOXMEOQQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.97
Rot. Bonds4

About ethenyl benzoate

ethenyl benzoate (PubChem CID 158178912) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethenyl benzoate.

Molecular Properties

Compound Nameethenyl benzoate
PubChem CID158178912
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Nameethenyl benzoate
SMILESC=COC(=O)c1ccccc1.C=COC(=O)c1ccccc1
InChIInChI=1S/2C9H8O2/c2*1-2-11-9(10)8-6-4-3-5-7-8/h2*2-7H,1H2
InChIKeyFYILYUZOXMEOQQ-UHFFFAOYSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 69279397
CID 69279397
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
ethenyl benzoate;methyl prop-2-enoate
CID 174376809
ethenyl 4-fluorobenzoate
CID 54757351
ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
CID 172860438
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
2-methylprop-1-enyl benzoate
CID 10487501
[(Z)-prop-1-enyl] benzoate
CID 11412549
ethenol;2-ethenoxycarbonylbenzoic acid
CID 174432530
biphenylene;ethenyl hydrogen carbonate
CID 67591083
ethenyl 4-methoxybenzoate;propan-2-one
CID 70140612
ethenyl 4-[[3,5-bis[bis(4-ethenoxycarbonylphenyl)stibanyl]phenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
CID 172855984

Frequently Asked Questions

What is the IUPAC name of ethenyl benzoate?
The IUPAC name of ethenyl benzoate (CID 158178912) is ethenyl benzoate.
What is the SMILES notation for ethenyl benzoate?
The canonical SMILES for ethenyl benzoate is C=COC(=O)c1ccccc1.C=COC(=O)c1ccccc1.
What is the InChIKey of ethenyl benzoate?
The InChIKey is FYILYUZOXMEOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8O2/c2*1-2-11-9(10)8-6-4-3-5-7-8/h2*2-7H,1H2.
What are the key properties of ethenyl benzoate?
ethenyl benzoate has a molecular weight of 296.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl benzoate is sourced from PubChem (CID 158178912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).