(6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one

C8H10O3 — CID 102588531

IUPAC(6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
SMILESCC1=C2CO[C@@H](C)[C@@H]2OC1=O
InChIInChI=1S/C8H10O3/c1-4-6-3-10-5(2)7(6)11-8(4)9/h5,7H,3H2,1-2H3/t5-,7-/m0/s1
InChIKeyOENVAHADKYCWDV-FSPLSTOPSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one

(6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one (PubChem CID 102588531) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one.

Molecular Properties

Compound Name(6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
PubChem CID102588531
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
SMILESCC1=C2CO[C@@H](C)[C@@H]2OC1=O
InChIInChI=1S/C8H10O3/c1-4-6-3-10-5(2)7(6)11-8(4)9/h5,7H,3H2,1-2H3/t5-,7-/m0/s1
InChIKeyOENVAHADKYCWDV-FSPLSTOPSA-N
XLogP0.65
TPSA35.53 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 ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
The IUPAC name of (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one (CID 102588531) is (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one.
What is the SMILES notation for (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
The canonical SMILES for (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one is CC1=C2CO[C@@H](C)[C@@H]2OC1=O.
What is the InChIKey of (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
The InChIKey is OENVAHADKYCWDV-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-6-3-10-5(2)7(6)11-8(4)9/h5,7H,3H2,1-2H3/t5-,7-/m0/s1.
What are the key properties of (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
(6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one is sourced from PubChem (CID 102588531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).