benzyl (2E)-2-ethenylpenta-2,4-dienoate

C14H14O2 — CID 145309058

IUPACbenzyl (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H14O2/c1-3-8-13(4-2)14(15)16-11-12-9-6-5-7-10-12/h3-10H,1-2,11H2/b13-8+
InChIKeyOYRRPWLBTAGNHM-MDWZMJQESA-N
MW214.26 g/mol
LogP3.03
Rot. Bonds5

About benzyl (2E)-2-ethenylpenta-2,4-dienoate

benzyl (2E)-2-ethenylpenta-2,4-dienoate (PubChem CID 145309058) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is benzyl (2E)-2-ethenylpenta-2,4-dienoate.

Molecular Properties

Compound Namebenzyl (2E)-2-ethenylpenta-2,4-dienoate
PubChem CID145309058
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Namebenzyl (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H14O2/c1-3-8-13(4-2)14(15)16-11-12-9-6-5-7-10-12/h3-10H,1-2,11H2/b13-8+
InChIKeyOYRRPWLBTAGNHM-MDWZMJQESA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2E)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienoate
CID 178142663
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
1-O-benzyl 3-O-[(2E)-2-ethenylpenta-2,4-dienyl] propanedioate
CID 143213528
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
benzyl 2-chloro-2-oxoacetate
CID 11019858
benzyl 4-[[[(2E)-2-ethenylpenta-2,4-dienoyl]amino]methyl]piperidine-1-carboxylate;ethane
CID 142177017
benzyl but-3-enoate
CID 11019385
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[4-(2-methoxy-2-oxoethyl)phenyl]methyl (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 145314432
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006

Frequently Asked Questions

What is the IUPAC name of benzyl (2E)-2-ethenylpenta-2,4-dienoate?
The IUPAC name of benzyl (2E)-2-ethenylpenta-2,4-dienoate (CID 145309058) is benzyl (2E)-2-ethenylpenta-2,4-dienoate.
What is the SMILES notation for benzyl (2E)-2-ethenylpenta-2,4-dienoate?
The canonical SMILES for benzyl (2E)-2-ethenylpenta-2,4-dienoate is C=C/C=C(\C=C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2E)-2-ethenylpenta-2,4-dienoate?
The InChIKey is OYRRPWLBTAGNHM-MDWZMJQESA-N. The full InChI is InChI=1S/C14H14O2/c1-3-8-13(4-2)14(15)16-11-12-9-6-5-7-10-12/h3-10H,1-2,11H2/b13-8+.
What are the key properties of benzyl (2E)-2-ethenylpenta-2,4-dienoate?
benzyl (2E)-2-ethenylpenta-2,4-dienoate has a molecular weight of 214.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2E)-2-ethenylpenta-2,4-dienoate is sourced from PubChem (CID 145309058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).