(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione

C8H10O3 — CID 15627441

IUPAC(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
SMILESC[C@@H]1C(=O)C[C@H]2C(=O)OC[C@@H]12
InChIInChI=1S/C8H10O3/c1-4-6-3-11-8(10)5(6)2-7(4)9/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1
InChIKeyDMQOTDKPHGKZQN-JKUQZMGJSA-N
MW154.16 g/mol
LogP0.38
Rot. Bonds

About (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione

(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione (PubChem CID 15627441) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione.

Molecular Properties

Compound Name(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
PubChem CID15627441
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
SMILESC[C@@H]1C(=O)C[C@H]2C(=O)OC[C@@H]12
InChIInChI=1S/C8H10O3/c1-4-6-3-11-8(10)5(6)2-7(4)9/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1
InChIKeyDMQOTDKPHGKZQN-JKUQZMGJSA-N
XLogP0.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione with MolForge

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Related Compounds

Diethyl trans-4-oxocyclopentane-1,2-dicarboxylate
CID 26967534
cis-4-Oxo-1,2-cyclopentanedicarboxylic acid diethyl ester
CID 26967535
Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester
CID 169863
(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione
CID 24813368
Cyclopentanecarboxylic acid, 2-ethyl-4-oxo-, ethyl ester
CID 58010012
1H-Cyclopenta[c]furan-1,4(3H)-dione, tetrahydro-
CID 330274
4-Oxo-cyclopentane-1,2-dicarboxylic acid diethyl ester
CID 533766
3-Oxabicyclo[3.3.0]octane-2,7-dione
CID 543141
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276
Ethyl 2-butyl-3-oxocyclopentane-1-carboxylate
CID 21443728
(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione
CID 10909643
Ctk2I3105
CID 11073507

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The IUPAC name of (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione (CID 15627441) is (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione.
What is the SMILES notation for (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The canonical SMILES for (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione is C[C@@H]1C(=O)C[C@H]2C(=O)OC[C@@H]12.
What is the InChIKey of (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The InChIKey is DMQOTDKPHGKZQN-JKUQZMGJSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-6-3-11-8(10)5(6)2-7(4)9/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1.
What are the key properties of (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione has a molecular weight of 154.16 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione is sourced from PubChem (CID 15627441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).