5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one

C11H16O2S — CID 105088730

IUPAC5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one
SMILESCOCC(C)CC(=O)Cc1cccs1
InChIInChI=1S/C11H16O2S/c1-9(8-13-2)6-10(12)7-11-4-3-5-14-11/h3-5,9H,6-8H2,1-2H3
InChIKeyYTIXJZUKXVTMSF-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.53
Rot. Bonds6

About 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one

5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one (PubChem CID 105088730) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one
PubChem CID105088730
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one
SMILESCOCC(C)CC(=O)Cc1cccs1
InChIInChI=1S/C11H16O2S/c1-9(8-13-2)6-10(12)7-11-4-3-5-14-11/h3-5,9H,6-8H2,1-2H3
InChIKeyYTIXJZUKXVTMSF-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yloxy-1-thiophen-2-ylbutan-2-one
CID 115001827
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
CID 116612699
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one
CID 105128793
1-methylsulfonyl-3-thiophen-2-ylpropan-2-one
CID 62622490
3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 103251820

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one?
The IUPAC name of 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one (CID 105088730) is 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one?
The canonical SMILES for 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one is COCC(C)CC(=O)Cc1cccs1.
What is the InChIKey of 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one?
The InChIKey is YTIXJZUKXVTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-9(8-13-2)6-10(12)7-11-4-3-5-14-11/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one?
5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one has a molecular weight of 212.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 105088730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).