(2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene

C10H18O2S — CID 15121006

IUPAC(2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene
SMILESCO[C@@]1(C)S[C@@](C)(OC)C(C)=C1C
InChIInChI=1S/C10H18O2S/c1-7-8(2)10(4,12-6)13-9(7,3)11-5/h1-6H3/t9-,10+
InChIKeyTZBIQFJUBCRRIM-AOOOYVTPSA-N
MW202.32 g/mol
LogP2.79
Rot. Bonds2

About (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene

(2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene (PubChem CID 15121006) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene
PubChem CID15121006
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene
SMILESCO[C@@]1(C)S[C@@](C)(OC)C(C)=C1C
InChIInChI=1S/C10H18O2S/c1-7-8(2)10(4,12-6)13-9(7,3)11-5/h1-6H3/t9-,10+
InChIKeyTZBIQFJUBCRRIM-AOOOYVTPSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene?
The IUPAC name of (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene (CID 15121006) is (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene.
What is the SMILES notation for (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene?
The canonical SMILES for (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene is CO[C@@]1(C)S[C@@](C)(OC)C(C)=C1C.
What is the InChIKey of (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene?
The InChIKey is TZBIQFJUBCRRIM-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H18O2S/c1-7-8(2)10(4,12-6)13-9(7,3)11-5/h1-6H3/t9-,10+.
What are the key properties of (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene?
(2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene has a molecular weight of 202.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethoxy-2,3,4,5-tetramethylthiophene is sourced from PubChem (CID 15121006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).