6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

C10H14O4 — CID 23316694

IUPAC6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESO=C1CC2CCCC2(C2OCCO2)O1
InChIInChI=1S/C10H14O4/c11-8-6-7-2-1-3-10(7,14-8)9-12-4-5-13-9/h7,9H,1-6H2
InChIKeySLKTUCUOLBFMAT-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.85
Rot. Bonds1

About 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 23316694) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID23316694
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESO=C1CC2CCCC2(C2OCCO2)O1
InChIInChI=1S/C10H14O4/c11-8-6-7-2-1-3-10(7,14-8)9-12-4-5-13-9/h7,9H,1-6H2
InChIKeySLKTUCUOLBFMAT-UHFFFAOYSA-N
XLogP0.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 23316694) is 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is O=C1CC2CCCC2(C2OCCO2)O1.
What is the InChIKey of 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is SLKTUCUOLBFMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-8-6-7-2-1-3-10(7,14-8)9-12-4-5-13-9/h7,9H,1-6H2.
What are the key properties of 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(1,3-dioxolan-2-yl)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 23316694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).