2-hexoxy-4-methylthiophene

C11H18OS — CID 23049606

IUPAC2-hexoxy-4-methylthiophene
SMILESCCCCCCOc1cc(C)cs1
InChIInChI=1S/C11H18OS/c1-3-4-5-6-7-12-11-8-10(2)9-13-11/h8-9H,3-7H2,1-2H3
InChIKeyOHIDOTREERRJFX-UHFFFAOYSA-N
MW198.33 g/mol
LogP4.02
Rot. Bonds6

About 2-hexoxy-4-methylthiophene

2-hexoxy-4-methylthiophene (PubChem CID 23049606) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-hexoxy-4-methylthiophene.

Molecular Properties

Compound Name2-hexoxy-4-methylthiophene
PubChem CID23049606
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-hexoxy-4-methylthiophene
SMILESCCCCCCOc1cc(C)cs1
InChIInChI=1S/C11H18OS/c1-3-4-5-6-7-12-11-8-10(2)9-13-11/h8-9H,3-7H2,1-2H3
InChIKeyOHIDOTREERRJFX-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 54.02
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 2-hexoxy-4-methylthiophene?
The IUPAC name of 2-hexoxy-4-methylthiophene (CID 23049606) is 2-hexoxy-4-methylthiophene.
What is the SMILES notation for 2-hexoxy-4-methylthiophene?
The canonical SMILES for 2-hexoxy-4-methylthiophene is CCCCCCOc1cc(C)cs1.
What is the InChIKey of 2-hexoxy-4-methylthiophene?
The InChIKey is OHIDOTREERRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-3-4-5-6-7-12-11-8-10(2)9-13-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-hexoxy-4-methylthiophene?
2-hexoxy-4-methylthiophene has a molecular weight of 198.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-4-methylthiophene is sourced from PubChem (CID 23049606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).