1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate

C10H14O5 — CID 23560381

IUPAC1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C10H14O5/c1-5(14-7(3)11)4-8-6(2)9(12)15-10(8)13/h5-6,8H,4H2,1-3H3
InChIKeyUFBNZFITWZIZCB-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.66
Rot. Bonds3

About 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate

1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate (PubChem CID 23560381) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate
PubChem CID23560381
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C10H14O5/c1-5(14-7(3)11)4-8-6(2)9(12)15-10(8)13/h5-6,8H,4H2,1-3H3
InChIKeyUFBNZFITWZIZCB-UHFFFAOYSA-N
XLogP0.66
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate?
The IUPAC name of 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate (CID 23560381) is 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate.
What is the SMILES notation for 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate?
The canonical SMILES for 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate is CC(=O)OC(C)CC1C(=O)OC(=O)C1C.
What is the InChIKey of 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate?
The InChIKey is UFBNZFITWZIZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5(14-7(3)11)4-8-6(2)9(12)15-10(8)13/h5-6,8H,4H2,1-3H3.
What are the key properties of 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate?
1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate has a molecular weight of 214.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,5-dioxooxolan-3-yl)propan-2-yl acetate is sourced from PubChem (CID 23560381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).