(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

C7H10O3 — CID 10630599

IUPAC(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESO=C1C[C@]2(O)CCC[C@H]2O1
InChIInChI=1S/C7H10O3/c8-6-4-7(9)3-1-2-5(7)10-6/h5,9H,1-4H2/t5-,7-/m1/s1
InChIKeyQIKHAUPRTMOJMU-IYSWYEEDSA-N
MW142.15 g/mol
LogP0.22
Rot. Bonds

About (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 10630599) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID10630599
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESO=C1C[C@]2(O)CCC[C@H]2O1
InChIInChI=1S/C7H10O3/c8-6-4-7(9)3-1-2-5(7)10-6/h5,9H,1-4H2/t5-,7-/m1/s1
InChIKeyQIKHAUPRTMOJMU-IYSWYEEDSA-N
XLogP0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4aS,8aR)-4a-methyl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
CID 11008347
1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol
CID 15438099
7-oxabicyclo[4.1.0]heptan-1-ol
CID 12599618
4-(1-hydroxycyclohexyl)oxolan-2-one
CID 12664730
(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol
CID 11229978
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
(4aS,9aR)-4a-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrano[3,2-b]oxepin-2-one
CID 10976158
4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
(4aS,9aS)-4a-hydroxy-5,6,7,8,9,9a-hexahydro-4H-benzo[7]annulene-1,3-dione
CID 139124857
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 10630599) is (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is O=C1C[C@]2(O)CCC[C@H]2O1.
What is the InChIKey of (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is QIKHAUPRTMOJMU-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-4-7(9)3-1-2-5(7)10-6/h5,9H,1-4H2/t5-,7-/m1/s1.
What are the key properties of (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 10630599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).