4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol

C11H22OS — CID 134212815

IUPAC4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol
SMILESCC(C)OCCC1CCC(S)CC1
InChIInChI=1S/C11H22OS/c1-9(2)12-8-7-10-3-5-11(13)6-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyPUDZVMLAOGDSCA-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.29
Rot. Bonds4

About 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol

4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol (PubChem CID 134212815) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol
PubChem CID134212815
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol
SMILESCC(C)OCCC1CCC(S)CC1
InChIInChI=1S/C11H22OS/c1-9(2)12-8-7-10-3-5-11(13)6-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyPUDZVMLAOGDSCA-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxyethylcycloheptane
CID 123201160
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
1-methyl-3-(2-propan-2-yloxyethyl)piperidine
CID 169034936
2-(2-cyclopropylethoxy)-3-methylbutan-1-amine
CID 106205725
1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
CID 18606921
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
2-(2-cyclopropylethoxy)propanethioamide
CID 106201781
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
(4-cyclopropyl-1-propan-2-yloxybutan-2-yl)hydrazine
CID 105315010
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol?
The IUPAC name of 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol (CID 134212815) is 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol.
What is the SMILES notation for 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol?
The canonical SMILES for 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol is CC(C)OCCC1CCC(S)CC1.
What is the InChIKey of 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol?
The InChIKey is PUDZVMLAOGDSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-9(2)12-8-7-10-3-5-11(13)6-4-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol?
4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol has a molecular weight of 202.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol is sourced from PubChem (CID 134212815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).