(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one

C7H10O3 — CID 11126369

IUPAC(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
SMILESO=C1CC[C@@H]2C(O)OC[C@H]12
InChIInChI=1S/C7H10O3/c8-6-2-1-4-5(6)3-10-7(4)9/h4-5,7,9H,1-3H2/t4-,5-,7?/m0/s1
InChIKeyNIYIUJFVDIZDPR-CNGBTNQNSA-N
MW142.15 g/mol
LogP-0.07
Rot. Bonds

About (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one

(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one (PubChem CID 11126369) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one.

Molecular Properties

Compound Name(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
PubChem CID11126369
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
SMILESO=C1CC[C@@H]2C(O)OC[C@H]12
InChIInChI=1S/C7H10O3/c8-6-2-1-4-5(6)3-10-7(4)9/h4-5,7,9H,1-3H2/t4-,5-,7?/m0/s1
InChIKeyNIYIUJFVDIZDPR-CNGBTNQNSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 123988861
(3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
CID 15934581
(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
CID 15934583

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The IUPAC name of (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one (CID 11126369) is (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one.
What is the SMILES notation for (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The canonical SMILES for (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one is O=C1CC[C@@H]2C(O)OC[C@H]12.
What is the InChIKey of (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The InChIKey is NIYIUJFVDIZDPR-CNGBTNQNSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-2-1-4-5(6)3-10-7(4)9/h4-5,7,9H,1-3H2/t4-,5-,7?/m0/s1.
What are the key properties of (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one has a molecular weight of 142.15 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one is sourced from PubChem (CID 11126369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).