5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one

C10H16O4 — CID 59078960

IUPAC5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one
SMILESCCC1(OC)CC(C)(C(C)=O)OC1=O
InChIInChI=1S/C10H16O4/c1-5-10(13-4)6-9(3,7(2)11)14-8(10)12/h5-6H2,1-4H3
InChIKeyHVKSGNVECIXOKF-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.08
Rot. Bonds3

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

5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one (PubChem CID 59078960) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one
PubChem CID59078960
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one
SMILESCCC1(OC)CC(C)(C(C)=O)OC1=O
InChIInChI=1S/C10H16O4/c1-5-10(13-4)6-9(3,7(2)11)14-8(10)12/h5-6H2,1-4H3
InChIKeyHVKSGNVECIXOKF-UHFFFAOYSA-N
XLogP1.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one?
The IUPAC name of 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one (CID 59078960) is 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one.
What is the SMILES notation for 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one?
The canonical SMILES for 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one is CCC1(OC)CC(C)(C(C)=O)OC1=O.
What is the InChIKey of 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one?
The InChIKey is HVKSGNVECIXOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-10(13-4)6-9(3,7(2)11)14-8(10)12/h5-6H2,1-4H3.
What are the key properties of 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one?
5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-ethyl-3-methoxy-5-methyloxolan-2-one is sourced from PubChem (CID 59078960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).