2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one

C11H14O3 — CID 122533107

IUPAC2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one
SMILESC=C1CC(C2=CC(=O)OC2C)C(C)O1
InChIInChI=1S/C11H14O3/c1-6-4-9(7(2)13-6)10-5-11(12)14-8(10)3/h5,7-9H,1,4H2,2-3H3
InChIKeyNUVMOKOOMLEVNM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds1

About 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one

2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one (PubChem CID 122533107) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one
PubChem CID122533107
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one
SMILESC=C1CC(C2=CC(=O)OC2C)C(C)O1
InChIInChI=1S/C11H14O3/c1-6-4-9(7(2)13-6)10-5-11(12)14-8(10)3/h5,7-9H,1,4H2,2-3H3
InChIKeyNUVMOKOOMLEVNM-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one?
The IUPAC name of 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one (CID 122533107) is 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one.
What is the SMILES notation for 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one?
The canonical SMILES for 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one is C=C1CC(C2=CC(=O)OC2C)C(C)O1.
What is the InChIKey of 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one?
The InChIKey is NUVMOKOOMLEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-4-9(7(2)13-6)10-5-11(12)14-8(10)3/h5,7-9H,1,4H2,2-3H3.
What are the key properties of 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one?
2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-5-methylideneoxolan-3-yl)-2H-furan-5-one is sourced from PubChem (CID 122533107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).