(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate

C10H14O4 — CID 59460099

IUPAC(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1OC(=O)C(C)C1C
InChIInChI=1S/C10H14O4/c1-5(2)8(11)13-10-7(4)6(3)9(12)14-10/h6-7,10H,1H2,2-4H3
InChIKeyRATIBSDSQZRRQT-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.26
Rot. Bonds2

About (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate

(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate (PubChem CID 59460099) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
PubChem CID59460099
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1OC(=O)C(C)C1C
InChIInChI=1S/C10H14O4/c1-5(2)8(11)13-10-7(4)6(3)9(12)14-10/h6-7,10H,1H2,2-4H3
InChIKeyRATIBSDSQZRRQT-UHFFFAOYSA-N
XLogP1.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.26
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

[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460074
(3-propan-2-yloxiran-2-yl) 2-methylprop-2-enoate
CID 141449628
methyl 5-methyl-1-(2-methylprop-2-enoyloxy)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-4-carboxylate
CID 155431918
(2-methyl-3-methylidene-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate
CID 89057256
(3S,4R,5R)-3,4-dimethyl-5-propan-2-yloxolan-2-one
CID 45096004
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 101111135
2H-oxet-2-yl 2-methylprop-2-enoate
CID 172735399
[(1S,6R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylprop-2-enoate
CID 67990971
(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 22168867
(3-methylthiiran-2-yl) 2-methylprop-2-enoate
CID 54303690
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate (CID 59460099) is (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1OC(=O)C(C)C1C.
What is the InChIKey of (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
The InChIKey is RATIBSDSQZRRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-5(2)8(11)13-10-7(4)6(3)9(12)14-10/h6-7,10H,1H2,2-4H3.
What are the key properties of (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 59460099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).