5-methoxy-3-methyloxolan-2-one

C6H10O3 — CID 13310794

IUPAC5-methoxy-3-methyloxolan-2-one
SMILESCOC1CC(C)C(=O)O1
InChIInChI=1S/C6H10O3/c1-4-3-5(8-2)9-6(4)7/h4-5H,3H2,1-2H3
InChIKeyKCZCPECTEIFCLS-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.54
Rot. Bonds1

About 5-methoxy-3-methyloxolan-2-one

5-methoxy-3-methyloxolan-2-one (PubChem CID 13310794) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 5-methoxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-methoxy-3-methyloxolan-2-one
PubChem CID13310794
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name5-methoxy-3-methyloxolan-2-one
SMILESCOC1CC(C)C(=O)O1
InChIInChI=1S/C6H10O3/c1-4-3-5(8-2)9-6(4)7/h4-5H,3H2,1-2H3
InChIKeyKCZCPECTEIFCLS-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyloxolan-2-one?
The IUPAC name of 5-methoxy-3-methyloxolan-2-one (CID 13310794) is 5-methoxy-3-methyloxolan-2-one.
What is the SMILES notation for 5-methoxy-3-methyloxolan-2-one?
The canonical SMILES for 5-methoxy-3-methyloxolan-2-one is COC1CC(C)C(=O)O1.
What is the InChIKey of 5-methoxy-3-methyloxolan-2-one?
The InChIKey is KCZCPECTEIFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-3-5(8-2)9-6(4)7/h4-5H,3H2,1-2H3.
What are the key properties of 5-methoxy-3-methyloxolan-2-one?
5-methoxy-3-methyloxolan-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyloxolan-2-one is sourced from PubChem (CID 13310794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).