3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione

C11H16O4 — CID 163666190

IUPAC3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione
SMILESC=C(C)OC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C11H16O4/c1-6(2)14-7(3)5-9-8(4)10(12)15-11(9)13/h7-9H,1,5H2,2-4H3
InChIKeyIYRDMUXNKASQIR-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.65
Rot. Bonds4

About 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione

3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione (PubChem CID 163666190) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione
PubChem CID163666190
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione
SMILESC=C(C)OC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C11H16O4/c1-6(2)14-7(3)5-9-8(4)10(12)15-11(9)13/h7-9H,1,5H2,2-4H3
InChIKeyIYRDMUXNKASQIR-UHFFFAOYSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione?
The IUPAC name of 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione (CID 163666190) is 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione?
The canonical SMILES for 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione is C=C(C)OC(C)CC1C(=O)OC(=O)C1C.
What is the InChIKey of 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione?
The InChIKey is IYRDMUXNKASQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6(2)14-7(3)5-9-8(4)10(12)15-11(9)13/h7-9H,1,5H2,2-4H3.
What are the key properties of 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione?
3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione has a molecular weight of 212.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione is sourced from PubChem (CID 163666190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).