2-prop-2-enoxyethyl 4-ethenylbenzoate

C14H16O3 — CID 58769638

IUPAC2-prop-2-enoxyethyl 4-ethenylbenzoate
SMILESC=CCOCCOC(=O)c1ccc(C=C)cc1
InChIInChI=1S/C14H16O3/c1-3-9-16-10-11-17-14(15)13-7-5-12(4-2)6-8-13/h3-8H,1-2,9-11H2
InChIKeyLLPCYEMPUSCAAY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.69
Rot. Bonds7

About 2-prop-2-enoxyethyl 4-ethenylbenzoate

2-prop-2-enoxyethyl 4-ethenylbenzoate (PubChem CID 58769638) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-prop-2-enoxyethyl 4-ethenylbenzoate.

Molecular Properties

Compound Name2-prop-2-enoxyethyl 4-ethenylbenzoate
PubChem CID58769638
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-prop-2-enoxyethyl 4-ethenylbenzoate
SMILESC=CCOCCOC(=O)c1ccc(C=C)cc1
InChIInChI=1S/C14H16O3/c1-3-9-16-10-11-17-14(15)13-7-5-12(4-2)6-8-13/h3-8H,1-2,9-11H2
InChIKeyLLPCYEMPUSCAAY-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-ethenylbenzoate
CID 58960727
2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
5-bromopentyl 4-ethenylbenzoate
CID 54019940
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-formylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-formylbenzoate
CID 57408109
2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130308397
4-(2-chloroethoxy)butyl 4-ethenylbenzoate
CID 57236268
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
hexyl 4-ethenylbenzoate
CID 12541506
bis(but-3-enyl) benzene-1,4-dicarboxylate
CID 67880179
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
3-[2-[3-[3-(3-prop-2-enoxypropoxy)propoxy]propoxy]ethoxycarbonyl]benzoic acid
CID 175525033
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyethyl 4-ethenylbenzoate?
The IUPAC name of 2-prop-2-enoxyethyl 4-ethenylbenzoate (CID 58769638) is 2-prop-2-enoxyethyl 4-ethenylbenzoate.
What is the SMILES notation for 2-prop-2-enoxyethyl 4-ethenylbenzoate?
The canonical SMILES for 2-prop-2-enoxyethyl 4-ethenylbenzoate is C=CCOCCOC(=O)c1ccc(C=C)cc1.
What is the InChIKey of 2-prop-2-enoxyethyl 4-ethenylbenzoate?
The InChIKey is LLPCYEMPUSCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-9-16-10-11-17-14(15)13-7-5-12(4-2)6-8-13/h3-8H,1-2,9-11H2.
What are the key properties of 2-prop-2-enoxyethyl 4-ethenylbenzoate?
2-prop-2-enoxyethyl 4-ethenylbenzoate has a molecular weight of 232.28 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethyl 4-ethenylbenzoate is sourced from PubChem (CID 58769638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).