5-methyl-1-thiophen-2-ylhexan-3-one

C11H16OS — CID 63776280

IUPAC5-methyl-1-thiophen-2-ylhexan-3-one
SMILESCC(C)CC(=O)CCc1cccs1
InChIInChI=1S/C11H16OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyDLBOCPZPXXUZAP-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.30
Rot. Bonds5

About 5-methyl-1-thiophen-2-ylhexan-3-one

5-methyl-1-thiophen-2-ylhexan-3-one (PubChem CID 63776280) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 5-methyl-1-thiophen-2-ylhexan-3-one.

Molecular Properties

Compound Name5-methyl-1-thiophen-2-ylhexan-3-one
PubChem CID63776280
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name5-methyl-1-thiophen-2-ylhexan-3-one
SMILESCC(C)CC(=O)CCc1cccs1
InChIInChI=1S/C11H16OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyDLBOCPZPXXUZAP-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 ≤ 500196.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
4-methyl-6-thiophen-2-ylhexan-2-one
CID 64719614
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one
CID 103167854
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
CID 116574838

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-2-ylhexan-3-one?
The IUPAC name of 5-methyl-1-thiophen-2-ylhexan-3-one (CID 63776280) is 5-methyl-1-thiophen-2-ylhexan-3-one.
What is the SMILES notation for 5-methyl-1-thiophen-2-ylhexan-3-one?
The canonical SMILES for 5-methyl-1-thiophen-2-ylhexan-3-one is CC(C)CC(=O)CCc1cccs1.
What is the InChIKey of 5-methyl-1-thiophen-2-ylhexan-3-one?
The InChIKey is DLBOCPZPXXUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 5-methyl-1-thiophen-2-ylhexan-3-one?
5-methyl-1-thiophen-2-ylhexan-3-one has a molecular weight of 196.31 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 5-methyl-1-thiophen-2-ylhexan-3-one is sourced from PubChem (CID 63776280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).