2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole

C7H12O2S — CID 526181

IUPAC2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole
SMILESCC1OC2(C)OCCC2S1
InChIInChI=1S/C7H12O2S/c1-5-9-7(2)6(10-5)3-4-8-7/h5-6H,3-4H2,1-2H3
InChIKeyZBNZQMIOTWVDDI-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.60
Rot. Bonds

About 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole

2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole (PubChem CID 526181) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole.

Molecular Properties

Compound Name2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole
PubChem CID526181
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole
SMILESCC1OC2(C)OCCC2S1
InChIInChI=1S/C7H12O2S/c1-5-9-7(2)6(10-5)3-4-8-7/h5-6H,3-4H2,1-2H3
InChIKeyZBNZQMIOTWVDDI-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole?
The IUPAC name of 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole (CID 526181) is 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole.
What is the SMILES notation for 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole?
The canonical SMILES for 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole is CC1OC2(C)OCCC2S1.
What is the InChIKey of 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole?
The InChIKey is ZBNZQMIOTWVDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-5-9-7(2)6(10-5)3-4-8-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole?
2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole has a molecular weight of 160.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dimethyl-6,6a-dihydro-5H-furo[3,2-d][1,3]oxathiole is sourced from PubChem (CID 526181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).