4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane

C11H18O4S — CID 538718

IUPAC4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane
SMILESCC1(C)OCC2SC3OC(C)(C)OC3C2O1
InChIInChI=1S/C11H18O4S/c1-10(2)12-5-6-7(13-10)8-9(16-6)15-11(3,4)14-8/h6-9H,5H2,1-4H3
InChIKeyJAJRGYYUYZRTMF-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.73
Rot. Bonds

About 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane

4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane (PubChem CID 538718) has the molecular formula C11H18O4S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane
PubChem CID538718
Molecular FormulaC11H18O4S
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane
SMILESCC1(C)OCC2SC3OC(C)(C)OC3C2O1
InChIInChI=1S/C11H18O4S/c1-10(2)12-5-6-7(13-10)8-9(16-6)15-11(3,4)14-8/h6-9H,5H2,1-4H3
InChIKeyJAJRGYYUYZRTMF-UHFFFAOYSA-N
XLogP1.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane with MolForge

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Related Compounds

(2S,3S,4R) 3,4-O-isopropylidene-2-phenyl-tetrahydrofuran-3,4-diol
CID 11207748
(1R,2R,6S,8R,9R)-4,4,11,11-tetramethyl-8-propylsulfonyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134927930
(4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134974732
(1S,6R,9R)-4,4,11,11-tetramethyl-8-(methylsulfanylmethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 135033228
(1R,2R,6R,8S)-4,4-dimethyl-3,5,7,12-tetraoxa-10-thiatricyclo[6.4.0.02,6]dodecane-11-thione
CID 139051896
[(1R,2S,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl thiocyanate
CID 100968131
(3aR,4R,6S,6aS)-6-(ethylsulfanylmethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 54158778
S-[[(2R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl] ethanethioate
CID 59721127
(3aS,4R)-4-(butoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 68324296
(3aS)-4-(butoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 68330368
(3aS,4R,6aR)-4-(butoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 71182251
S-[[(1S,2R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl] ethanethioate
CID 87695511

Frequently Asked Questions

What is the IUPAC name of 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane (CID 538718) is 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane is CC1(C)OCC2SC3OC(C)(C)OC3C2O1.
What is the InChIKey of 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane?
The InChIKey is JAJRGYYUYZRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4S/c1-10(2)12-5-6-7(13-10)8-9(16-6)15-11(3,4)14-8/h6-9H,5H2,1-4H3.
What are the key properties of 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane?
4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane has a molecular weight of 246.33 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,11,11-tetramethyl-3,5,10,12-tetraoxa-7-thiatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 538718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).