1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone

C15H30O2S — CID 142431051

IUPAC1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(OCS(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O2S/c1-12(16)13-7-9-14(10-8-13)17-11-18(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3
InChIKeyRDVHKUKEEAVXBL-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.97
Rot. Bonds4

About 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone

1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone (PubChem CID 142431051) has the molecular formula C15H30O2S and a molecular weight of 274.47 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone
PubChem CID142431051
Molecular FormulaC15H30O2S
Molecular Weight274.47 g/mol
Exact Mass274.20
IUPAC Name1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(OCS(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O2S/c1-12(16)13-7-9-14(10-8-13)17-11-18(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3
InChIKeyRDVHKUKEEAVXBL-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-but-2-ynoxycyclohexyl)ethanone
CID 90903033
4-(2,2-dimethylpropoxy)cyclohexane-1-carboxylic acid
CID 166848730
1-(3-methoxycyclopentyl)ethanone
CID 140959253
tert-butyl 22-(4-acetylcyclohexyl)-20-oxodocosanoate
CID 157460111
4-(3-hydroxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 114451192
1-[3-(trifluoromethoxy)cyclopentyl]ethanone
CID 138517575
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
1-(3,4-ditert-butylcyclohexyl)ethanone
CID 58913193
1-(4-bromocyclohexyl)ethanone
CID 118688836
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
1-cyclopentylethanone;propane
CID 145026358
ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
CID 144882385

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone (CID 142431051) is 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone is CC(=O)C1CCC(OCS(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone?
The InChIKey is RDVHKUKEEAVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2S/c1-12(16)13-7-9-14(10-8-13)17-11-18(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone?
1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone has a molecular weight of 274.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone is sourced from PubChem (CID 142431051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).