(3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C7H10O2 — CID 10351704

IUPAC(3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2CCC[C@@H]2O1
InChIInChI=1S/C7H10O2/c8-7-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyDICZUTMNXOMHQD-WDSKDSINSA-N
MW126.16 g/mol
LogP1.10
Rot. Bonds

About (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 10351704) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID10351704
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2CCC[C@@H]2O1
InChIInChI=1S/C7H10O2/c8-7-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyDICZUTMNXOMHQD-WDSKDSINSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 10351704) is (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1C[C@@H]2CCC[C@@H]2O1.
What is the InChIKey of (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is DICZUTMNXOMHQD-WDSKDSINSA-N. The full InChI is InChI=1S/C7H10O2/c8-7-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 126.16 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10351704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).