1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone

C16H24O2S — CID 43800262

IUPAC1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone
SMILESCc1ccc(C(=O)COC2CC(C)CC(C)(C)C2)s1
InChIInChI=1S/C16H24O2S/c1-11-7-13(9-16(3,4)8-11)18-10-14(17)15-6-5-12(2)19-15/h5-6,11,13H,7-10H2,1-4H3
InChIKeyQKUSPOVJSAXDBB-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.47
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone

1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone (PubChem CID 43800262) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone
PubChem CID43800262
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone
SMILESCc1ccc(C(=O)COC2CC(C)CC(C)(C)C2)s1
InChIInChI=1S/C16H24O2S/c1-11-7-13(9-16(3,4)8-11)18-10-14(17)15-6-5-12(2)19-15/h5-6,11,13H,7-10H2,1-4H3
InChIKeyQKUSPOVJSAXDBB-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone
CID 131151079
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
1-phenyl-4-(3,3,5-trimethylcyclohexyl)oxybutan-1-one
CID 43793710
ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate
CID 103484900
3-[2-(chloromethyl)prop-2-enoxy]-1,1,5-trimethylcyclohexane
CID 103066019
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107558162
3-bromo-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophene
CID 63458381
4-fluoro-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzoic acid
CID 107908566
1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
CID 63458050
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 114341690
2-amino-6-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzoic acid
CID 104825404
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone (CID 43800262) is 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone is Cc1ccc(C(=O)COC2CC(C)CC(C)(C)C2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone?
The InChIKey is QKUSPOVJSAXDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-11-7-13(9-16(3,4)8-11)18-10-14(17)15-6-5-12(2)19-15/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone?
1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone has a molecular weight of 280.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone is sourced from PubChem (CID 43800262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).