3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene

C11H14S — CID 142079801

IUPAC3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
SMILESC=C/C(C)=C\c1sc(C)cc1C
InChIInChI=1S/C11H14S/c1-5-8(2)6-11-9(3)7-10(4)12-11/h5-7H,1H2,2-4H3/b8-6-
InChIKeyMUYXIHVCQHNUEG-VURMDHGXSA-N
MW178.30 g/mol
LogP3.95
Rot. Bonds2

About 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene

3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene (PubChem CID 142079801) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene.

Molecular Properties

Compound Name3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
PubChem CID142079801
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
SMILESC=C/C(C)=C\c1sc(C)cc1C
InChIInChI=1S/C11H14S/c1-5-8(2)6-11-9(3)7-10(4)12-11/h5-7H,1H2,2-4H3/b8-6-
InChIKeyMUYXIHVCQHNUEG-VURMDHGXSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene?
The IUPAC name of 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene (CID 142079801) is 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene.
What is the SMILES notation for 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene?
The canonical SMILES for 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene is C=C/C(C)=C\c1sc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene?
The InChIKey is MUYXIHVCQHNUEG-VURMDHGXSA-N. The full InChI is InChI=1S/C11H14S/c1-5-8(2)6-11-9(3)7-10(4)12-11/h5-7H,1H2,2-4H3/b8-6-.
What are the key properties of 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene?
3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene has a molecular weight of 178.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene is sourced from PubChem (CID 142079801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).