benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate

C17H20O4 — CID 67462298

IUPACbenzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCCCC(=C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H20O4/c1-13(2)16(18)20-11-7-8-14(3)17(19)21-12-15-9-5-4-6-10-15/h4-6,9-10H,1,3,7-8,11-12H2,2H3
InChIKeyRVCWUXYGVLGWLU-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.19
Rot. Bonds8

About benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate

benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 67462298) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Namebenzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID67462298
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namebenzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCCCC(=C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H20O4/c1-13(2)16(18)20-11-7-8-14(3)17(19)21-12-15-9-5-4-6-10-15/h4-6,9-10H,1,3,7-8,11-12H2,2H3
InChIKeyRVCWUXYGVLGWLU-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate
CID 123419243
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
benzyl 2-methylprop-2-enoate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate
CID 158265907
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
benzyl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 20574609

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate (CID 67462298) is benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OCCCC(=C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is RVCWUXYGVLGWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-13(2)16(18)20-11-7-8-14(3)17(19)21-12-15-9-5-4-6-10-15/h4-6,9-10H,1,3,7-8,11-12H2,2H3.
What are the key properties of benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 288.34 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 67462298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).