5-ethylidene-3-methyloxolan-2-one

C7H10O2 — CID 54460905

IUPAC5-ethylidene-3-methyloxolan-2-one
SMILESCC=C1CC(C)C(=O)O1
InChIInChI=1S/C7H10O2/c1-3-6-4-5(2)7(8)9-6/h3,5H,4H2,1-2H3
InChIKeyXBNLGWYIDIYISP-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.47
Rot. Bonds

About 5-ethylidene-3-methyloxolan-2-one

5-ethylidene-3-methyloxolan-2-one (PubChem CID 54460905) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 5-ethylidene-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-ethylidene-3-methyloxolan-2-one
PubChem CID54460905
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name5-ethylidene-3-methyloxolan-2-one
SMILESCC=C1CC(C)C(=O)O1
InChIInChI=1S/C7H10O2/c1-3-6-4-5(2)7(8)9-6/h3,5H,4H2,1-2H3
InChIKeyXBNLGWYIDIYISP-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-3-methyloxolan-2-one?
The IUPAC name of 5-ethylidene-3-methyloxolan-2-one (CID 54460905) is 5-ethylidene-3-methyloxolan-2-one.
What is the SMILES notation for 5-ethylidene-3-methyloxolan-2-one?
The canonical SMILES for 5-ethylidene-3-methyloxolan-2-one is CC=C1CC(C)C(=O)O1.
What is the InChIKey of 5-ethylidene-3-methyloxolan-2-one?
The InChIKey is XBNLGWYIDIYISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-6-4-5(2)7(8)9-6/h3,5H,4H2,1-2H3.
What are the key properties of 5-ethylidene-3-methyloxolan-2-one?
5-ethylidene-3-methyloxolan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-3-methyloxolan-2-one is sourced from PubChem (CID 54460905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).