(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione

C10H12O3 — CID 102321136

IUPAC(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione
SMILESCC1=CC(=O)[C@@H]2[C@H]1C(=O)OC2(C)C
InChIInChI=1S/C10H12O3/c1-5-4-6(11)8-7(5)9(12)13-10(8,2)3/h4,7-8H,1-3H3/t7-,8+/m0/s1
InChIKeyABGGRRNHSDWWCG-JGVFFNPUSA-N
MW180.20 g/mol
LogP1.08
Rot. Bonds

About (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione

(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione (PubChem CID 102321136) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione.

Molecular Properties

Compound Name(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione
PubChem CID102321136
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione
SMILESCC1=CC(=O)[C@@H]2[C@H]1C(=O)OC2(C)C
InChIInChI=1S/C10H12O3/c1-5-4-6(11)8-7(5)9(12)13-10(8,2)3/h4,7-8H,1-3H3/t7-,8+/m0/s1
InChIKeyABGGRRNHSDWWCG-JGVFFNPUSA-N
XLogP1.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 11332690
(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one
CID 134854582
(3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one
CID 134959312
Tert-butyl 4-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 135085673
(2,5-Dimethyl-4-oxocyclopent-2-en-1-yl)methyl acetate
CID 14243114
Methyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 45090186
4,5-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
CID 86005967
methyl (1R)-2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 93501399
ethyl (1R)-2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 97358966
ethyl (1S)-2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 97358967
methyl (1S)-2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 98081987
(3aR,6aS)-5-methyl-6,6a-dihydro-3aH-cyclopenta[c]furan-1,3-dione
CID 102079917

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione?
The IUPAC name of (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione (CID 102321136) is (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione.
What is the SMILES notation for (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione?
The canonical SMILES for (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione is CC1=CC(=O)[C@@H]2[C@H]1C(=O)OC2(C)C.
What is the InChIKey of (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione?
The InChIKey is ABGGRRNHSDWWCG-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H12O3/c1-5-4-6(11)8-7(5)9(12)13-10(8,2)3/h4,7-8H,1-3H3/t7-,8+/m0/s1.
What are the key properties of (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione?
(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione has a molecular weight of 180.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione is sourced from PubChem (CID 102321136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).