methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate

C10H16O2S — CID 163593749

IUPACmethyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate
SMILESCOC(=O)C1C(C)=C(C)SC1(C)C
InChIInChI=1S/C10H16O2S/c1-6-7(2)13-10(3,4)8(6)9(11)12-5/h8H,1-5H3
InChIKeyGRRUWYSPPXQKOE-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.59
Rot. Bonds1

About methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate

methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate (PubChem CID 163593749) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate
PubChem CID163593749
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Namemethyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate
SMILESCOC(=O)C1C(C)=C(C)SC1(C)C
InChIInChI=1S/C10H16O2S/c1-6-7(2)13-10(3,4)8(6)9(11)12-5/h8H,1-5H3
InChIKeyGRRUWYSPPXQKOE-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydrothiophene-3-carboxylate
CID 134932526
methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate
CID 134932527

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate?
The IUPAC name of methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate (CID 163593749) is methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate.
What is the SMILES notation for methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate?
The canonical SMILES for methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate is COC(=O)C1C(C)=C(C)SC1(C)C.
What is the InChIKey of methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate?
The InChIKey is GRRUWYSPPXQKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-6-7(2)13-10(3,4)8(6)9(11)12-5/h8H,1-5H3.
What are the key properties of methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate?
methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate is sourced from PubChem (CID 163593749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).