(3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione

C9H10O3 — CID 130870813

IUPAC(3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
SMILESCC1=C(C)[C@H]2C(=O)OC[C@H]2C1=O
InChIInChI=1S/C9H10O3/c1-4-5(2)8(10)6-3-12-9(11)7(4)6/h6-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeyJWRKRFZYNNBFNA-RNFRBKRXSA-N
MW166.18 g/mol
LogP0.69
Rot. Bonds

About (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione

(3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione (PubChem CID 130870813) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione.

Molecular Properties

Compound Name(3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
PubChem CID130870813
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
SMILESCC1=C(C)[C@H]2C(=O)OC[C@H]2C1=O
InChIInChI=1S/C9H10O3/c1-4-5(2)8(10)6-3-12-9(11)7(4)6/h6-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeyJWRKRFZYNNBFNA-RNFRBKRXSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 2-(3,4-dimethyl-2-oxo-1-cyclopent-3-enyl)acetate
CID 10997663
Methyl 2-(3,4-dimethyl-2-oxocyclopent-3-en-1-yl)propanoate
CID 101417804
(5S)-7,8-dimethyl-2-oxaspiro[4.4]non-7-ene-1,9-dione
CID 134964949
5,6-Dimethyl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
CID 78063831
(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
CID 10888521
(3aS,6aR)-5-methyl-6-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,4-dione
CID 10954432
(3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
CID 11805596
Ethyl 3-oxo-1,2,3,4,5,6-hexahydro-1-pentalenecarboxylate
CID 12951284
(2,3-Dimethyl-4-oxocyclopent-2-en-1-yl)methyl acetate
CID 14243116
(3aR,6aR)-5,6-Dimethyl-1,3,3a,6a-tetrahydro-4H-cyclopenta[c]furan-4-one
CID 71371225
4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
CID 86005967
(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione
CID 102321136

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
The IUPAC name of (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione (CID 130870813) is (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione.
What is the SMILES notation for (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
The canonical SMILES for (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione is CC1=C(C)[C@H]2C(=O)OC[C@H]2C1=O.
What is the InChIKey of (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
The InChIKey is JWRKRFZYNNBFNA-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H10O3/c1-4-5(2)8(10)6-3-12-9(11)7(4)6/h6-7H,3H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
(3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione has a molecular weight of 166.18 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione is sourced from PubChem (CID 130870813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).