2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone

C16H24O2S — CID 114341690

IUPAC2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)COC2CCC(C)(C)CC2)c(C)s1
InChIInChI=1S/C16H24O2S/c1-11-9-14(12(2)19-11)15(17)10-18-13-5-7-16(3,4)8-6-13/h9,13H,5-8,10H2,1-4H3
InChIKeyFMSNIEKPZMFNAD-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.53
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 114341690) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID114341690
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)COC2CCC(C)(C)CC2)c(C)s1
InChIInChI=1S/C16H24O2S/c1-11-9-14(12(2)19-11)15(17)10-18-13-5-7-16(3,4)8-6-13/h9,13H,5-8,10H2,1-4H3
InChIKeyFMSNIEKPZMFNAD-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 114341690) is 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)COC2CCC(C)(C)CC2)c(C)s1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is FMSNIEKPZMFNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-11-9-14(12(2)19-11)15(17)10-18-13-5-7-16(3,4)8-6-13/h9,13H,5-8,10H2,1-4H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 280.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 114341690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).