bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate

C18H28O4S — CID 140513738

IUPACbis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate
SMILESCc1sc(C)c(C(=O)OCC(C)(C)C)c1C(=O)OCC(C)(C)C
InChIInChI=1S/C18H28O4S/c1-11-13(15(19)21-9-17(3,4)5)14(12(2)23-11)16(20)22-10-18(6,7)8/h9-10H2,1-8H3
InChIKeyNXACRIAYNWHWQT-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.77
Rot. Bonds4

About bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate

bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate (PubChem CID 140513738) has the molecular formula C18H28O4S and a molecular weight of 340.49 g/mol. Its IUPAC name is bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate.

Molecular Properties

Compound Namebis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate
PubChem CID140513738
Molecular FormulaC18H28O4S
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Namebis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate
SMILESCc1sc(C)c(C(=O)OCC(C)(C)C)c1C(=O)OCC(C)(C)C
InChIInChI=1S/C18H28O4S/c1-11-13(15(19)21-9-17(3,4)5)14(12(2)23-11)16(20)22-10-18(6,7)8/h9-10H2,1-8H3
InChIKeyNXACRIAYNWHWQT-UHFFFAOYSA-N
XLogP4.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,2-dimethylpropyl) 2-methylthiophene-3,4-dicarboxylate
CID 140513739
4-(2,2-dimethylpropoxycarbonyl)benzoic acid;terephthalic acid
CID 67409597
bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186950
2-O-amino 4-O-ethyl 3-tert-butyl-5-methylthiophene-2,4-dicarboxylate
CID 19376808
3-(4-amino-5-methylthiophene-2-carbonyl)oxy-2,2-dimethylpropanoic acid
CID 79620176
2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 153493812
2,2-dimethylpropyl 2,2-dichloropropanoate
CID 90264258
2-O-tert-butyl 1-O-(2,2-dimethylpropyl) 4,5-dimethylbenzene-1,2-dicarboxylate
CID 23502441
2,2-dimethylpropyl 4-bromobenzoate
CID 11054767
2,2-dimethylpropyl carboniodidate
CID 71320370
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
2,2,3,3-tetramethylbutyl 2,6-dimethylbenzoate
CID 142470082

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate?
The IUPAC name of bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate (CID 140513738) is bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate.
What is the SMILES notation for bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate?
The canonical SMILES for bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate is Cc1sc(C)c(C(=O)OCC(C)(C)C)c1C(=O)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate?
The InChIKey is NXACRIAYNWHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4S/c1-11-13(15(19)21-9-17(3,4)5)14(12(2)23-11)16(20)22-10-18(6,7)8/h9-10H2,1-8H3.
What are the key properties of bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate?
bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate has a molecular weight of 340.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate is sourced from PubChem (CID 140513738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).