(3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate

C11H16O4 — CID 118504352

IUPAC(3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate
SMILESCC(=O)OC12CCCC1OC(=O)C2(C)C
InChIInChI=1S/C11H16O4/c1-7(12)15-11-6-4-5-8(11)14-9(13)10(11,2)3/h8H,4-6H2,1-3H3
InChIKeyBVJUNBWGXXBVRP-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.42
Rot. Bonds1

About (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate

(3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate (PubChem CID 118504352) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate
PubChem CID118504352
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate
SMILESCC(=O)OC12CCCC1OC(=O)C2(C)C
InChIInChI=1S/C11H16O4/c1-7(12)15-11-6-4-5-8(11)14-9(13)10(11,2)3/h8H,4-6H2,1-3H3
InChIKeyBVJUNBWGXXBVRP-UHFFFAOYSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate 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 (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate?
The IUPAC name of (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate (CID 118504352) is (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate.
What is the SMILES notation for (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate?
The canonical SMILES for (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate is CC(=O)OC12CCCC1OC(=O)C2(C)C.
What is the InChIKey of (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate?
The InChIKey is BVJUNBWGXXBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(12)15-11-6-4-5-8(11)14-9(13)10(11,2)3/h8H,4-6H2,1-3H3.
What are the key properties of (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate?
(3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate has a molecular weight of 212.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl) acetate is sourced from PubChem (CID 118504352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).