3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene

C15H20S2 — CID 123346439

IUPAC3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene
SMILESCC=CC1=C(C)C2SC(C)=C(C=CCC)C2S1
InChIInChI=1S/C15H20S2/c1-5-7-9-12-11(4)16-14-10(3)13(8-6-2)17-15(12)14/h6-9,14-15H,5H2,1-4H3
InChIKeyMHCFOIHFWDVOAO-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.31
Rot. Bonds3

About 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene

3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene (PubChem CID 123346439) has the molecular formula C15H20S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene.

Molecular Properties

Compound Name3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene
PubChem CID123346439
Molecular FormulaC15H20S2
Molecular Weight264.46 g/mol
Exact Mass264.10
IUPAC Name3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene
SMILESCC=CC1=C(C)C2SC(C)=C(C=CCC)C2S1
InChIInChI=1S/C15H20S2/c1-5-7-9-12-11(4)16-14-10(3)13(8-6-2)17-15(12)14/h6-9,14-15H,5H2,1-4H3
InChIKeyMHCFOIHFWDVOAO-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene?
The IUPAC name of 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene (CID 123346439) is 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene.
What is the SMILES notation for 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene?
The canonical SMILES for 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene is CC=CC1=C(C)C2SC(C)=C(C=CCC)C2S1.
What is the InChIKey of 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene?
The InChIKey is MHCFOIHFWDVOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S2/c1-5-7-9-12-11(4)16-14-10(3)13(8-6-2)17-15(12)14/h6-9,14-15H,5H2,1-4H3.
What are the key properties of 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene?
3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene has a molecular weight of 264.46 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enyl-2,6-dimethyl-5-prop-1-enyl-3a,6a-dihydrothieno[3,2-b]thiophene is sourced from PubChem (CID 123346439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).