3-decoxy-2,4,5-trimethylthiophene

C17H30OS — CID 54484873

IUPAC3-decoxy-2,4,5-trimethylthiophene
SMILESCCCCCCCCCCOc1c(C)sc(C)c1C
InChIInChI=1S/C17H30OS/c1-5-6-7-8-9-10-11-12-13-18-17-14(2)15(3)19-16(17)4/h5-13H2,1-4H3
InChIKeyHEBHOHLJZVRVMR-UHFFFAOYSA-N
MW282.49 g/mol
LogP6.19
Rot. Bonds10

About 3-decoxy-2,4,5-trimethylthiophene

3-decoxy-2,4,5-trimethylthiophene (PubChem CID 54484873) has the molecular formula C17H30OS and a molecular weight of 282.49 g/mol. Its IUPAC name is 3-decoxy-2,4,5-trimethylthiophene.

Molecular Properties

Compound Name3-decoxy-2,4,5-trimethylthiophene
PubChem CID54484873
Molecular FormulaC17H30OS
Molecular Weight282.49 g/mol
Exact Mass282.20
IUPAC Name3-decoxy-2,4,5-trimethylthiophene
SMILESCCCCCCCCCCOc1c(C)sc(C)c1C
InChIInChI=1S/C17H30OS/c1-5-6-7-8-9-10-11-12-13-18-17-14(2)15(3)19-16(17)4/h5-13H2,1-4H3
InChIKeyHEBHOHLJZVRVMR-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decoxy-2,4,5-trimethylthiophene?
The IUPAC name of 3-decoxy-2,4,5-trimethylthiophene (CID 54484873) is 3-decoxy-2,4,5-trimethylthiophene.
What is the SMILES notation for 3-decoxy-2,4,5-trimethylthiophene?
The canonical SMILES for 3-decoxy-2,4,5-trimethylthiophene is CCCCCCCCCCOc1c(C)sc(C)c1C.
What is the InChIKey of 3-decoxy-2,4,5-trimethylthiophene?
The InChIKey is HEBHOHLJZVRVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OS/c1-5-6-7-8-9-10-11-12-13-18-17-14(2)15(3)19-16(17)4/h5-13H2,1-4H3.
What are the key properties of 3-decoxy-2,4,5-trimethylthiophene?
3-decoxy-2,4,5-trimethylthiophene has a molecular weight of 282.49 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-2,4,5-trimethylthiophene is sourced from PubChem (CID 54484873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).