2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol

C12H24OS — CID 131866620

IUPAC2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCS
InChIInChI=1S/C12H24OS/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14/h9-12,14H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyICMJEETZSLOHEV-GRYCIOLGSA-N
MW216.39 g/mol
LogP3.39
Rot. Bonds4

About 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol (PubChem CID 131866620) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
PubChem CID131866620
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCS
InChIInChI=1S/C12H24OS/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14/h9-12,14H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyICMJEETZSLOHEV-GRYCIOLGSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol with MolForge

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Related Compounds

4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane
CID 66472138
4-methyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-1-amine
CID 63505523
1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine
CID 107506656

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol?
The IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol (CID 131866620) is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol.
What is the SMILES notation for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol?
The canonical SMILES for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCS.
What is the InChIKey of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol?
The InChIKey is ICMJEETZSLOHEV-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H24OS/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14/h9-12,14H,4-8H2,1-3H3/t10-,11+,12-/m1/s1.
What are the key properties of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol?
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol has a molecular weight of 216.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol is sourced from PubChem (CID 131866620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).