3-ethyl-4-methylideneoxolan-2-one

C7H10O2 — CID 91316002

IUPAC3-ethyl-4-methylideneoxolan-2-one
SMILESC=C1COC(=O)C1CC
InChIInChI=1S/C7H10O2/c1-3-6-5(2)4-9-7(6)8/h6H,2-4H2,1H3
InChIKeyWJCGIZGLDUYOLS-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds1

About 3-ethyl-4-methylideneoxolan-2-one

3-ethyl-4-methylideneoxolan-2-one (PubChem CID 91316002) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-ethyl-4-methylideneoxolan-2-one.

Molecular Properties

Compound Name3-ethyl-4-methylideneoxolan-2-one
PubChem CID91316002
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name3-ethyl-4-methylideneoxolan-2-one
SMILESC=C1COC(=O)C1CC
InChIInChI=1S/C7H10O2/c1-3-6-5(2)4-9-7(6)8/h6H,2-4H2,1H3
InChIKeyWJCGIZGLDUYOLS-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(3H)-Furanone, dihydro-4-methyl-3-methylene-, (R)-
CID 11815838
(4S)-4-methyl-3-methylideneoxolan-2-one
CID 13291800
(4S,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789118
(4R,5S)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789119
4-methyl-3-methylenedihydrofuran-2(3H)-one
CID 10844358
3,3-Dimethyl-4-methylene-2-oxo-tetrahydrofurane
CID 12669555
4,5-Dimethyl-3-methylideneoxolan-2-one
CID 12789117
2(3H)-Furanone, dihydro-4-(1-methylethenyl)-
CID 10796749
(4R)-4-prop-1-en-2-yloxolan-2-one
CID 13745734
5-Ethenyl-4-methyl-3-methylideneoxolan-2-one
CID 134967674
3-Buta-2,3-dien-2-yloxolan-2-one
CID 139254710
InChI=1/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h4,6H,2H2,1,3H3/t4-,6-/m1/s
CID 5324907

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylideneoxolan-2-one?
The IUPAC name of 3-ethyl-4-methylideneoxolan-2-one (CID 91316002) is 3-ethyl-4-methylideneoxolan-2-one.
What is the SMILES notation for 3-ethyl-4-methylideneoxolan-2-one?
The canonical SMILES for 3-ethyl-4-methylideneoxolan-2-one is C=C1COC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-methylideneoxolan-2-one?
The InChIKey is WJCGIZGLDUYOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-6-5(2)4-9-7(6)8/h6H,2-4H2,1H3.
What are the key properties of 3-ethyl-4-methylideneoxolan-2-one?
3-ethyl-4-methylideneoxolan-2-one has a molecular weight of 126.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylideneoxolan-2-one is sourced from PubChem (CID 91316002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).