ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate

C10H16O4 — CID 143365262

IUPACethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCOC1=O.CC
InChIInChI=1S/C8H10O4.C2H6/c1-5(2)7(9)12-6-3-4-11-8(6)10;1-2/h6H,1,3-4H2,2H3;1-2H3
InChIKeyRKYQSMARAZRGDB-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds2

About ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate

ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate (PubChem CID 143365262) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
PubChem CID143365262
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCOC1=O.CC
InChIInChI=1S/C8H10O4.C2H6/c1-5(2)7(9)12-6-3-4-11-8(6)10;1-2/h6H,1,3-4H2,2H3;1-2H3
InChIKeyRKYQSMARAZRGDB-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
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

3-prop-1-en-2-yloxyoxolan-2-one
CID 145146780
(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
CID 70669312
[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643847
2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
CID 20643849
(5-methylidene-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 159173687
(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl) 2-fluoroprop-2-enoate;(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-fluoroprop-2-enoate
CID 159269686
2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118535175
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 159949419
(2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-(2-methylprop-2-enoyloxy)pent-3-enoate
CID 173471952
(1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-5-yl) 2-methylprop-2-enoate
CID 22168872
2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20643781
3-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one
CID 138466131

Frequently Asked Questions

What is the IUPAC name of ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate (CID 143365262) is ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCOC1=O.CC.
What is the InChIKey of ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The InChIKey is RKYQSMARAZRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4.C2H6/c1-5(2)7(9)12-6-3-4-11-8(6)10;1-2/h6H,1,3-4H2,2H3;1-2H3.
What are the key properties of ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate?
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 143365262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).