methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate

C11H14O2S — CID 134341773

IUPACmethyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CC(C)(C)C2
InChIInChI=1S/C11H14O2S/c1-11(2)5-7-4-8(10(12)13-3)14-9(7)6-11/h4H,5-6H2,1-3H3
InChIKeyYGYUIFRIYMRYEA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.66
Rot. Bonds1

About methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate

methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate (PubChem CID 134341773) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate
PubChem CID134341773
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Namemethyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CC(C)(C)C2
InChIInChI=1S/C11H14O2S/c1-11(2)5-7-4-8(10(12)13-3)14-9(7)6-11/h4H,5-6H2,1-3H3
InChIKeyYGYUIFRIYMRYEA-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-2-yl)prop-2-en-1-one
CID 156718541
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 55252787
methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7987070
dimethyl (5'Z)-5'-(iodomethylidene)spiro[5,7-dihydro-4H-1-benzothiophene-6,4'-thiophene]-2,2'-dicarboxylate
CID 15105506
methyl 5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine-2-carboxylate
CID 131270641
5-cyano-5-methoxycarbonyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylic acid
CID 6424814
methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 158673655
methyl 4-oxo-7H-thieno[2,3-c]pyran-2-carboxylate
CID 131427405
methyl 5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-indeno[2,1-b]thiophene-2-carboxylate
CID 23266700
5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene
CID 89070441
methyl 2-tert-butyl-1,1-dioxo-3H-thieno[3,2-d][1,2]thiazole-5-carboxylate
CID 170340530

Frequently Asked Questions

What is the IUPAC name of methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate?
The IUPAC name of methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate (CID 134341773) is methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate?
The canonical SMILES for methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate is COC(=O)c1cc2c(s1)CC(C)(C)C2.
What is the InChIKey of methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate?
The InChIKey is YGYUIFRIYMRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-11(2)5-7-4-8(10(12)13-3)14-9(7)6-11/h4H,5-6H2,1-3H3.
What are the key properties of methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate?
methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate has a molecular weight of 210.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate is sourced from PubChem (CID 134341773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).