[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate

C12H14O4 — CID 138534197

IUPAC[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccco2)CCOC1
InChIInChI=1S/C12H14O4/c1-9(2)11(13)16-12(5-7-14-8-12)10-4-3-6-15-10/h3-4,6H,1,5,7-8H2,2H3
InChIKeyMKYVSXNJOSEGPU-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.01
Rot. Bonds3

About [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate

[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate (PubChem CID 138534197) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate
PubChem CID138534197
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccco2)CCOC1
InChIInChI=1S/C12H14O4/c1-9(2)11(13)16-12(5-7-14-8-12)10-4-3-6-15-10/h3-4,6H,1,5,7-8H2,2H3
InChIKeyMKYVSXNJOSEGPU-UHFFFAOYSA-N
XLogP2.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,1-dioxo-4-thiophen-2-ylthian-4-yl) 2-methylprop-2-enoate;[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate;(2-methyl-3-thiophen-2-yloxolan-3-yl) 2-methylprop-2-enoate;[3-(5-methylthiophen-2-yl)oxolan-3-yl] 2-methylprop-2-enoate;(4-oxo-1-thiophen-2-ylcyclohexyl) 2-methylprop-2-enoate;(4-thiophen-2-yloxan-4-yl) 2-methylprop-2-enoate;(3-thiophen-2-yloxolan-3-yl) 2-methylprop-2-enoate
CID 159428524
[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate
CID 161355793
[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate
CID 130238686
2-(furan-2-yl)oxolane-2-carboxylic acid
CID 178200785
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
[4-(4-methylphenyl)-1,1-dioxothian-4-yl] 2-methylprop-2-enoate;(4-naphthalen-1-yloxan-4-yl) 2-methylprop-2-enoate
CID 161401597
ethyl 2-[1-(furan-2-yl)cyclopropyl]acetate
CID 102087507
2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 58734392
4-(furan-2-yl)-3-methoxyoxan-4-ol
CID 127002501
[3-(5-methylfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 158386402
ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
CID 105438633
2-(2-methoxyoxolan-2-yl)furan
CID 141004568

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate (CID 138534197) is [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(c2ccco2)CCOC1.
What is the InChIKey of [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate?
The InChIKey is MKYVSXNJOSEGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-9(2)11(13)16-12(5-7-14-8-12)10-4-3-6-15-10/h3-4,6H,1,5,7-8H2,2H3.
What are the key properties of [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate?
[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate has a molecular weight of 222.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 138534197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).