4-methyl-6-thiophen-2-ylhexan-2-one

C11H16OS — CID 64719614

IUPAC4-methyl-6-thiophen-2-ylhexan-2-one
SMILESCC(=O)CC(C)CCc1cccs1
InChIInChI=1S/C11H16OS/c1-9(8-10(2)12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQRXYRIIOEXBETQ-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.30
Rot. Bonds5

About 4-methyl-6-thiophen-2-ylhexan-2-one

4-methyl-6-thiophen-2-ylhexan-2-one (PubChem CID 64719614) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-methyl-6-thiophen-2-ylhexan-2-one.

Molecular Properties

Compound Name4-methyl-6-thiophen-2-ylhexan-2-one
PubChem CID64719614
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name4-methyl-6-thiophen-2-ylhexan-2-one
SMILESCC(=O)CC(C)CCc1cccs1
InChIInChI=1S/C11H16OS/c1-9(8-10(2)12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQRXYRIIOEXBETQ-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one
CID 103343894
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-thiophen-2-ylhexan-2-one?
The IUPAC name of 4-methyl-6-thiophen-2-ylhexan-2-one (CID 64719614) is 4-methyl-6-thiophen-2-ylhexan-2-one.
What is the SMILES notation for 4-methyl-6-thiophen-2-ylhexan-2-one?
The canonical SMILES for 4-methyl-6-thiophen-2-ylhexan-2-one is CC(=O)CC(C)CCc1cccs1.
What is the InChIKey of 4-methyl-6-thiophen-2-ylhexan-2-one?
The InChIKey is QRXYRIIOEXBETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9(8-10(2)12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 4-methyl-6-thiophen-2-ylhexan-2-one?
4-methyl-6-thiophen-2-ylhexan-2-one has a molecular weight of 196.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-thiophen-2-ylhexan-2-one is sourced from PubChem (CID 64719614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).