(2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate

C9H12O4 — CID 142573755

IUPAC(2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC1CCOC1=O
InChIInChI=1S/C9H12O4/c1-3-6(2)8(10)13-7-4-5-12-9(7)11/h3,7H,4-5H2,1-2H3/b6-3+
InChIKeySATQIKRUNCTSJW-ZZXKWVIFSA-N
MW184.19 g/mol
LogP0.81
Rot. Bonds2

About (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate

(2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate (PubChem CID 142573755) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate
PubChem CID142573755
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC1CCOC1=O
InChIInChI=1S/C9H12O4/c1-3-6(2)8(10)13-7-4-5-12-9(7)11/h3,7H,4-5H2,1-2H3/b6-3+
InChIKeySATQIKRUNCTSJW-ZZXKWVIFSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.81
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

gamma-Butyrolactone methacrylate
CID 11206014
(4-Fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
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(5-Fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 90997737
(3-Fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 141024117
[2-(5,5-Difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 146555603
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl (E)-2-methylbut-2-enoate
CID 91698407
[(2R)-1-ethoxy-1-oxopropan-2-yl] (E)-2-methylbut-2-enoate
CID 134883055
Methacryloxysuccinic anhydride
CID 11041390
2-[1-Oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl]oxyethyl 2-methylprop-2-enoate
CID 20643717
(2-Oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate
CID 20643718
[3-Oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate
CID 20643779

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate?
The IUPAC name of (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate (CID 142573755) is (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate?
The InChIKey is SATQIKRUNCTSJW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-6(2)8(10)13-7-4-5-12-9(7)11/h3,7H,4-5H2,1-2H3/b6-3+.
What are the key properties of (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate?
(2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate has a molecular weight of 184.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) (E)-2-methylbut-2-enoate is sourced from PubChem (CID 142573755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).