1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan

C12H22OS — CID 58210304

IUPAC1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan
SMILESCCC1OC(CC)C2C1CSC2(C)C
InChIInChI=1S/C12H22OS/c1-5-9-8-7-14-12(3,4)11(8)10(6-2)13-9/h8-11H,5-7H2,1-4H3
InChIKeyBJVPTDYQGFUNHB-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.33
Rot. Bonds2

About 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan

1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan (PubChem CID 58210304) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan.

Molecular Properties

Compound Name1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan
PubChem CID58210304
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan
SMILESCCC1OC(CC)C2C1CSC2(C)C
InChIInChI=1S/C12H22OS/c1-5-9-8-7-14-12(3,4)11(8)10(6-2)13-9/h8-11H,5-7H2,1-4H3
InChIKeyBJVPTDYQGFUNHB-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan?
The IUPAC name of 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan (CID 58210304) is 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan.
What is the SMILES notation for 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan?
The canonical SMILES for 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan is CCC1OC(CC)C2C1CSC2(C)C.
What is the InChIKey of 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan?
The InChIKey is BJVPTDYQGFUNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-5-9-8-7-14-12(3,4)11(8)10(6-2)13-9/h8-11H,5-7H2,1-4H3.
What are the key properties of 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan?
1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan has a molecular weight of 214.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan is sourced from PubChem (CID 58210304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).