3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate

C15H18O3 — CID 19369048

IUPAC3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate
SMILESC=Cc1ccc(OCC(=O)OCC=C(C)C)cc1
InChIInChI=1S/C15H18O3/c1-4-13-5-7-14(8-6-13)18-11-15(16)17-10-9-12(2)3/h4-9H,1,10-11H2,2-3H3
InChIKeyLVSDXVWHSCNNSM-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.22
Rot. Bonds6

About 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate

3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate (PubChem CID 19369048) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate.

Molecular Properties

Compound Name3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate
PubChem CID19369048
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate
SMILESC=Cc1ccc(OCC(=O)OCC=C(C)C)cc1
InChIInChI=1S/C15H18O3/c1-4-13-5-7-14(8-6-13)18-11-15(16)17-10-9-12(2)3/h4-9H,1,10-11H2,2-3H3
InChIKeyLVSDXVWHSCNNSM-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylbut-2-enyl 2-[4-[2-[4-[2-(3-methylbut-2-enoxy)-2-oxoethoxy]phenyl]propan-2-yl]phenoxy]acetate
CID 54224105
propyl 2-(4-ethenylphenoxy)acetate
CID 23504150
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166
(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate
CID 59227049
[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enyl] acetate
CID 10611366
propyl 2-(4-formylphenoxy)acetate
CID 17245126
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-(4-ethenylpyridin-1-ium-1-yl)acetate
CID 20639672
prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate
CID 11266832
(4-ethenylphenyl) 4-oxopentanoate
CID 59301728
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
[4-[2-(3,4-dihydroxyphenoxy)-2-oxoethoxy]phenyl] 2-methylprop-2-enoate;[4-(3,4-dihydroxyphenoxy)phenyl] 2-methylprop-2-enoate;(3,4-dihydroxyphenyl) 2-(4-ethenylphenoxy)acetate
CID 159783516
1,4-bis(ethenyl)benzene;ethenyl propanoate
CID 174939231

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate?
The IUPAC name of 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate (CID 19369048) is 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate.
What is the SMILES notation for 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate?
The canonical SMILES for 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate is C=Cc1ccc(OCC(=O)OCC=C(C)C)cc1.
What is the InChIKey of 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate?
The InChIKey is LVSDXVWHSCNNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-13-5-7-14(8-6-13)18-11-15(16)17-10-9-12(2)3/h4-9H,1,10-11H2,2-3H3.
What are the key properties of 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate?
3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate has a molecular weight of 246.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate is sourced from PubChem (CID 19369048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).