(3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione

C11H14O3 — CID 11805596

IUPAC(3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
SMILESCC1=C(C(C)C)[C@@H]2C(=O)OC[C@@H]2C1=O
InChIInChI=1S/C11H14O3/c1-5(2)8-6(3)10(12)7-4-14-11(13)9(7)8/h5,7,9H,4H2,1-3H3/t7-,9+/m0/s1
InChIKeyAROHXWNDTBLRJM-IONNQARKSA-N
MW194.23 g/mol
LogP1.33
Rot. Bonds1

About (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione

(3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione (PubChem CID 11805596) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione.

Molecular Properties

Compound Name(3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
PubChem CID11805596
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione
SMILESCC1=C(C(C)C)[C@@H]2C(=O)OC[C@@H]2C1=O
InChIInChI=1S/C11H14O3/c1-5(2)8-6(3)10(12)7-4-14-11(13)9(7)8/h5,7,9H,4H2,1-3H3/t7-,9+/m0/s1
InChIKeyAROHXWNDTBLRJM-IONNQARKSA-N
XLogP1.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione with MolForge

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Related Compounds

(3R,3aS,9aR,9bS)-3,6,9-trimethyl-3a,5,9a,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,4,7-trione
CID 637061
5,6-Dimethyl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
CID 78063831
Ethyl 2-methyl-4-oxo-3-pentylcyclopent-2-ene-1-carboxylate
CID 13372544
(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
Ethyl 1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-2-pentalenecarboxylate
CID 12736093
Ethyl 3-oxo-1,2,3,4,5,6-hexahydro-1-pentalenecarboxylate
CID 12951284
ethyl 3-oxo-2,4,5,6-tetrahydro-1H-pentalene-2-carboxylate
CID 13394381
3,6,9-trimethyl-3a,5,9a,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,4,7-trione
CID 22297544
(3aS,9aR,9bS)-3,6,9-trimethyl-3a,5,9a,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,4,7-trione
CID 22297545
(3aR,9aS,9bR)-3,6,9-trimethyl-3a,5,9a,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,4,7-trione
CID 22297546
(3aR,6aR)-5,6-Dimethyl-1,3,3a,6a-tetrahydro-4H-cyclopenta[c]furan-4-one
CID 71371225

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
The IUPAC name of (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione (CID 11805596) is (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione.
What is the SMILES notation for (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
The canonical SMILES for (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione is CC1=C(C(C)C)[C@@H]2C(=O)OC[C@@H]2C1=O.
What is the InChIKey of (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
The InChIKey is AROHXWNDTBLRJM-IONNQARKSA-N. The full InChI is InChI=1S/C11H14O3/c1-5(2)8-6(3)10(12)7-4-14-11(13)9(7)8/h5,7,9H,4H2,1-3H3/t7-,9+/m0/s1.
What are the key properties of (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione?
(3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione has a molecular weight of 194.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methyl-4-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,6-dione is sourced from PubChem (CID 11805596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).