1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol

C10H18OS — CID 102085916

IUPAC1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol
SMILESCC1CC2(C)SCC1(C)CC2O
InChIInChI=1S/C10H18OS/c1-7-4-10(3)8(11)5-9(7,2)6-12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyNLSLVVSUTCOOLE-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.29
Rot. Bonds

About 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol

1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol (PubChem CID 102085916) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol.

Molecular Properties

Compound Name1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol
PubChem CID102085916
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol
SMILESCC1CC2(C)SCC1(C)CC2O
InChIInChI=1S/C10H18OS/c1-7-4-10(3)8(11)5-9(7,2)6-12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyNLSLVVSUTCOOLE-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-5-methylsulfanylmethyl-3-thiabicyclo[3.3.1]nonan-6-ol
CID 129741856
(1R,2R,3R,4S,6R)-1,6-dimethyl-3-(methylsulfanylmethyl)bicyclo[2.2.2]octan-2-ol
CID 134845105
(1R,2S,3R,4S,6R)-1,6-dimethyl-3-(methylsulfanylmethyl)bicyclo[2.2.2]octan-2-ol
CID 134845265
(1R,2S,3S,4S,6R)-1,6-dimethyl-3-(methylsulfanylmethyl)bicyclo[2.2.2]octan-2-ol
CID 134861319
(1R,2R,3S,4S,6R)-1,6-dimethyl-3-(methylsulfanylmethyl)bicyclo[2.2.2]octan-2-ol
CID 134861412
(2R,4aS,8aS)-4a-methylspiro[1,2,4,5,6,7,8,8a-octahydronaphthalene-3,2'-1,3-dithiane]-2-ol
CID 134894400
4,4,5,7,8-Pentamethyl-2,3,4a,5,6,7,8,8a-octahydrothiochromen-6-ol
CID 118227801
2-Tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylcyclohexyl)methylsulfanylmethyl]-5-methylcyclohexan-1-ol
CID 145817739
(1S,2S,3S,5R)-2-(1,3-dithian-2-ylmethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-ol
CID 21629081
1,4,7-Trimethyl-2-thiabicyclo[2.2.2]octan-5-ol
CID 130142553
(1R,4R,5S,7R)-1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol
CID 130875415

Frequently Asked Questions

What is the IUPAC name of 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol?
The IUPAC name of 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol (CID 102085916) is 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol.
What is the SMILES notation for 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol?
The canonical SMILES for 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol is CC1CC2(C)SCC1(C)CC2O.
What is the InChIKey of 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol?
The InChIKey is NLSLVVSUTCOOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-7-4-10(3)8(11)5-9(7,2)6-12-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol?
1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol has a molecular weight of 186.32 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-trimethyl-2-thiabicyclo[2.2.2]octan-6-ol is sourced from PubChem (CID 102085916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).