3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one

C10H16O4 — CID 3024599

IUPAC3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one
SMILESC=CCOC1(C)CC(OCC)C(=O)O1
InChIInChI=1S/C10H16O4/c1-4-6-13-10(3)7-8(12-5-2)9(11)14-10/h4,8H,1,5-7H2,2-3H3
InChIKeyAORWDAQGWDBNFZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds5

About 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one

3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one (PubChem CID 3024599) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one.

Molecular Properties

Compound Name3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one
PubChem CID3024599
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one
SMILESC=CCOC1(C)CC(OCC)C(=O)O1
InChIInChI=1S/C10H16O4/c1-4-6-13-10(3)7-8(12-5-2)9(11)14-10/h4,8H,1,5-7H2,2-3H3
InChIKeyAORWDAQGWDBNFZ-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one?
The IUPAC name of 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one (CID 3024599) is 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one.
What is the SMILES notation for 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one?
The canonical SMILES for 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one is C=CCOC1(C)CC(OCC)C(=O)O1.
What is the InChIKey of 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one?
The InChIKey is AORWDAQGWDBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-6-13-10(3)7-8(12-5-2)9(11)14-10/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one?
3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one is sourced from PubChem (CID 3024599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).