dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate

C10H14O6 — CID 67192207

IUPACdimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C2OCOC12
InChIInChI=1S/C10H14O6/c1-13-9(11)5-3-6(10(12)14-2)8-7(5)15-4-16-8/h5-8H,3-4H2,1-2H3
InChIKeyQQYOGWCGWUQRTK-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.29
Rot. Bonds2

About dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate

dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate (PubChem CID 67192207) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate
PubChem CID67192207
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Namedimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C2OCOC12
InChIInChI=1S/C10H14O6/c1-13-9(11)5-3-6(10(12)14-2)8-7(5)15-4-16-8/h5-8H,3-4H2,1-2H3
InChIKeyQQYOGWCGWUQRTK-UHFFFAOYSA-N
XLogP-0.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate?
The IUPAC name of dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate (CID 67192207) is dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate.
What is the SMILES notation for dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate?
The canonical SMILES for dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate is COC(=O)C1CC(C(=O)OC)C2OCOC12.
What is the InChIKey of dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate?
The InChIKey is QQYOGWCGWUQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-13-9(11)5-3-6(10(12)14-2)8-7(5)15-4-16-8/h5-8H,3-4H2,1-2H3.
What are the key properties of dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate?
dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate has a molecular weight of 230.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate is sourced from PubChem (CID 67192207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).