3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene

C13H16S — CID 67251212

IUPAC3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene
SMILESCC1=CC=CC1=C1SC(C)=C(C)C1C
InChIInChI=1S/C13H16S/c1-8-6-5-7-12(8)13-10(3)9(2)11(4)14-13/h5-7,10H,1-4H3
InChIKeyYVWFICBGMCGLLU-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.43
Rot. Bonds

About 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene

3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene (PubChem CID 67251212) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene.

Molecular Properties

Compound Name3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene
PubChem CID67251212
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene
SMILESCC1=CC=CC1=C1SC(C)=C(C)C1C
InChIInChI=1S/C13H16S/c1-8-6-5-7-12(8)13-10(3)9(2)11(4)14-13/h5-7,10H,1-4H3
InChIKeyYVWFICBGMCGLLU-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene?
The IUPAC name of 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene (CID 67251212) is 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene.
What is the SMILES notation for 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene?
The canonical SMILES for 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene is CC1=CC=CC1=C1SC(C)=C(C)C1C.
What is the InChIKey of 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene?
The InChIKey is YVWFICBGMCGLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-8-6-5-7-12(8)13-10(3)9(2)11(4)14-13/h5-7,10H,1-4H3.
What are the key properties of 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene?
3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene has a molecular weight of 204.34 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene is sourced from PubChem (CID 67251212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).