3-Methyl-2-(3,7,11-trimethyldodecyl)thiophene
Basic information
- CAS
102037-88-7- Standard SMILES
Cc1ccsc1CCC(C)CCCC(C)CCCC(C)C- InChIKey
GQSRQFZJEZGNKO-UHFFFAOYSA-N- Molecular formula
- C20H36S
- Average molar mass
- 308.6 g/mol
- Monoisotopic mass
- 308.25377232
Names & identifiers
- Preferred name
- 3-Methyl-2-(3,7,11-trimethyldodecyl)thiophene
- IUPAC
- 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene
Names & synonyms
3-Methyl-2-(3,7,11-trimethyldodecyl)thiophene102037-88-7DTXSID70341573RefChem:280737DTXCID90292654GQSRQFZJEZGNKO-UHFFFAOYSA-NThiophene, 3-methyl-2-(3,7,11-trimethyldodecyl)-methyl-2-(3,7,11-trimethyldodecyl)-thiophene3-methyl-2-(3,7,11-trimethyldo-decyl) thiophene
Database identifiers
- CAS
102037-88-7- PubChem CID
- 574083
- DTXSID
DTXSID70341573- Nikkaji
- J3.799.098A
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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