8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane

C12H20OS — CID 20583895

IUPAC8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane
SMILESCC1(C)C2CCC1(C)C1SCCOC21
InChIInChI=1S/C12H20OS/c1-11(2)8-4-5-12(11,3)10-9(8)13-6-7-14-10/h8-10H,4-7H2,1-3H3
InChIKeyYQLAXKRDFOMANY-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.94
Rot. Bonds

About 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane

8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane (PubChem CID 20583895) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane
PubChem CID20583895
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane
SMILESCC1(C)C2CCC1(C)C1SCCOC21
InChIInChI=1S/C12H20OS/c1-11(2)8-4-5-12(11,3)10-9(8)13-6-7-14-10/h8-10H,4-7H2,1-3H3
InChIKeyYQLAXKRDFOMANY-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
CID 88759012
CID 136835222
CID 136835222
(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
CID 18389887
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
CID 2750624
(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
CID 124768854
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
(1R,2R,3S)-4,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820197
platinum(2+);(1S,2R,3S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;dichloride
CID 25099132
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol
CID 131203528
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533

Frequently Asked Questions

What is the IUPAC name of 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane?
The IUPAC name of 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane (CID 20583895) is 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane?
The canonical SMILES for 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane is CC1(C)C2CCC1(C)C1SCCOC21.
What is the InChIKey of 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane?
The InChIKey is YQLAXKRDFOMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-11(2)8-4-5-12(11,3)10-9(8)13-6-7-14-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane?
8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane has a molecular weight of 212.36 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 20583895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).