2-methyl-4-(3-methylhexan-3-yl)thiophene

C12H20S — CID 146378447

IUPAC2-methyl-4-(3-methylhexan-3-yl)thiophene
SMILESCCCC(C)(CC)c1csc(C)c1
InChIInChI=1S/C12H20S/c1-5-7-12(4,6-2)11-8-10(3)13-9-11/h8-9H,5-7H2,1-4H3
InChIKeyVYKSJLLDIJIUOA-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.52
Rot. Bonds4

About 2-methyl-4-(3-methylhexan-3-yl)thiophene

2-methyl-4-(3-methylhexan-3-yl)thiophene (PubChem CID 146378447) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2-methyl-4-(3-methylhexan-3-yl)thiophene.

Molecular Properties

Compound Name2-methyl-4-(3-methylhexan-3-yl)thiophene
PubChem CID146378447
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2-methyl-4-(3-methylhexan-3-yl)thiophene
SMILESCCCC(C)(CC)c1csc(C)c1
InChIInChI=1S/C12H20S/c1-5-7-12(4,6-2)11-8-10(3)13-9-11/h8-9H,5-7H2,1-4H3
InChIKeyVYKSJLLDIJIUOA-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylhexan-3-yl)thiophene?
The IUPAC name of 2-methyl-4-(3-methylhexan-3-yl)thiophene (CID 146378447) is 2-methyl-4-(3-methylhexan-3-yl)thiophene.
What is the SMILES notation for 2-methyl-4-(3-methylhexan-3-yl)thiophene?
The canonical SMILES for 2-methyl-4-(3-methylhexan-3-yl)thiophene is CCCC(C)(CC)c1csc(C)c1.
What is the InChIKey of 2-methyl-4-(3-methylhexan-3-yl)thiophene?
The InChIKey is VYKSJLLDIJIUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-5-7-12(4,6-2)11-8-10(3)13-9-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-4-(3-methylhexan-3-yl)thiophene?
2-methyl-4-(3-methylhexan-3-yl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylhexan-3-yl)thiophene is sourced from PubChem (CID 146378447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).