[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate

C12H18O7 — CID 154641855

IUPAC[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCC1(CC(=O)OC(=O)CC2(C)OCCO2)OCCO1
InChIInChI=1S/C12H18O7/c1-11(15-3-4-16-11)7-9(13)19-10(14)8-12(2)17-5-6-18-12/h3-8H2,1-2H3
InChIKeyLKNIICGTYWWIAU-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.36
Rot. Bonds4

About [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate

[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate (PubChem CID 154641855) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
PubChem CID154641855
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCC1(CC(=O)OC(=O)CC2(C)OCCO2)OCCO1
InChIInChI=1S/C12H18O7/c1-11(15-3-4-16-11)7-9(13)19-10(14)8-12(2)17-5-6-18-12/h3-8H2,1-2H3
InChIKeyLKNIICGTYWWIAU-UHFFFAOYSA-N
XLogP0.36
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate (CID 154641855) is [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate is CC1(CC(=O)OC(=O)CC2(C)OCCO2)OCCO1.
What is the InChIKey of [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is LKNIICGTYWWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O7/c1-11(15-3-4-16-11)7-9(13)19-10(14)8-12(2)17-5-6-18-12/h3-8H2,1-2H3.
What are the key properties of [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 274.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 154641855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).