butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate

C16H20O4 — CID 70370086

IUPACbutyl 4-(2-methylprop-2-enoyloxymethyl)benzoate
SMILESC=C(C)C(=O)OCc1ccc(C(=O)OCCCC)cc1
InChIInChI=1S/C16H20O4/c1-4-5-10-19-16(18)14-8-6-13(7-9-14)11-20-15(17)12(2)3/h6-9H,2,4-5,10-11H2,1,3H3
InChIKeyFOZHGGLCVIGJEN-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.26
Rot. Bonds7

About butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate

butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate (PubChem CID 70370086) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate.

Molecular Properties

Compound Namebutyl 4-(2-methylprop-2-enoyloxymethyl)benzoate
PubChem CID70370086
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namebutyl 4-(2-methylprop-2-enoyloxymethyl)benzoate
SMILESC=C(C)C(=O)OCc1ccc(C(=O)OCCCC)cc1
InChIInChI=1S/C16H20O4/c1-4-5-10-19-16(18)14-8-6-13(7-9-14)11-20-15(17)12(2)3/h6-9H,2,4-5,10-11H2,1,3H3
InChIKeyFOZHGGLCVIGJEN-UHFFFAOYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.26
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

4-O-[(4-bromophenyl)methyl] 1-O-butyl benzene-1,4-dicarboxylate
CID 91733678
[4-(2-butoxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 70189318
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 4-(hydroxymethyl)benzoate
CID 54464600
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
benzoyl benzenecarboperoxoate;butyl 2-methylprop-2-enoate
CID 21486215
pentyl 4-[[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]diazenyl]benzoate
CID 102100257
butyl 4-(2-methylprop-2-enoylamino)benzoate
CID 46708094
butyl 4-(2-oxoethyl)benzoate
CID 89220146
(4-butoxyphenyl) 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate
CID 122403245
[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 4-(2-methylprop-2-enoyloxymethyl)benzoate
CID 22976565
pentyl 4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]benzoate
CID 58027852

Frequently Asked Questions

What is the IUPAC name of butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate?
The IUPAC name of butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate (CID 70370086) is butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate.
What is the SMILES notation for butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate?
The canonical SMILES for butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate is C=C(C)C(=O)OCc1ccc(C(=O)OCCCC)cc1.
What is the InChIKey of butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate?
The InChIKey is FOZHGGLCVIGJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-5-10-19-16(18)14-8-6-13(7-9-14)11-20-15(17)12(2)3/h6-9H,2,4-5,10-11H2,1,3H3.
What are the key properties of butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate?
butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate has a molecular weight of 276.33 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(2-methylprop-2-enoyloxymethyl)benzoate is sourced from PubChem (CID 70370086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).