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

C7H8O3 — CID 10909643

IUPAC(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione
SMILESO=C1CC[C@H]2C(=O)OC[C@@H]12
InChIInChI=1S/C7H8O3/c8-6-2-1-4-5(6)3-10-7(4)9/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyCXUZGVCRPUEZEO-RFZPGFLSSA-N
MW140.14 g/mol
LogP0.14
Rot. Bonds

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

(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione (PubChem CID 10909643) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione.

Molecular Properties

Compound Name(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione
PubChem CID10909643
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione
SMILESO=C1CC[C@H]2C(=O)OC[C@@H]12
InChIInChI=1S/C7H8O3/c8-6-2-1-4-5(6)3-10-7(4)9/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyCXUZGVCRPUEZEO-RFZPGFLSSA-N
XLogP0.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-3-Oxabicyclo[3.3.0]octane-2-one
CID 11007905
Hexahydro-1H-cyclopenta[c]furan-1-one
CID 12648864
(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione
CID 24813368
1H-Cyclopenta[c]furan-1,4(3H)-dione, tetrahydro-
CID 330274
3-Oxabicyclo[3.3.0]octane-2,7-dione
CID 543141
Ctk2I3105
CID 11073507
cis-Hexahydro-cyclopenta[c]furan-1-one
CID 12648865
Ethyl 2-methyl-3-oxocyclopentane-1-carboxylate
CID 550243
1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione
CID 12685826
(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
CID 15627441
(6aS)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12648866
(3aR,6aR)-hexahydro-1H-cyclopenta[c]furan-1-one
CID 12648867

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione?
The IUPAC name of (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione (CID 10909643) is (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione.
What is the SMILES notation for (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione?
The canonical SMILES for (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione is O=C1CC[C@H]2C(=O)OC[C@@H]12.
What is the InChIKey of (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione?
The InChIKey is CXUZGVCRPUEZEO-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H8O3/c8-6-2-1-4-5(6)3-10-7(4)9/h4-5H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione?
(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione has a molecular weight of 140.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione is sourced from PubChem (CID 10909643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).