(6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

C13H22O6 — CID 22212779

IUPAC(6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCCO[C@@]12OC3COC(C)(C)OC3C1OC(C)(C)O2
InChIInChI=1S/C13H22O6/c1-6-14-13-10(18-12(4,5)19-13)9-8(16-13)7-15-11(2,3)17-9/h8-10H,6-7H2,1-5H3/t8?,9?,10?,13-/m1/s1
InChIKeyIKLUPTZHGJFIMT-HEJPYPEKSA-N
MW274.31 g/mol
LogP1.38
Rot. Bonds2

About (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

(6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (PubChem CID 22212779) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name(6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
PubChem CID22212779
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name(6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCCO[C@@]12OC3COC(C)(C)OC3C1OC(C)(C)O2
InChIInChI=1S/C13H22O6/c1-6-14-13-10(18-12(4,5)19-13)9-8(16-13)7-15-11(2,3)17-9/h8-10H,6-7H2,1-5H3/t8?,9?,10?,13-/m1/s1
InChIKeyIKLUPTZHGJFIMT-HEJPYPEKSA-N
XLogP1.38
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 552052
[(1R,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl]methanol
CID 117066508
(4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 155196447
(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboperoxoic acid
CID 101471992
methyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate
CID 12719564
(6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid
CID 139036159
[(1R,2R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
CID 12671322
[(1R)-1-[(1R,2S,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl]but-3-enyl] prop-2-enoate
CID 102400344
(1S,2R,6R,9R)-6-(azidomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 7057269
[2,2-dimethyl-5-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)-1,3-dioxolan-4-yl]methanol
CID 500372
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 175677124
ethyl 3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopropanoate
CID 11088377

Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (CID 22212779) is (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is CCO[C@@]12OC3COC(C)(C)OC3C1OC(C)(C)O2.
What is the InChIKey of (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The InChIKey is IKLUPTZHGJFIMT-HEJPYPEKSA-N. The full InChI is InChI=1S/C13H22O6/c1-6-14-13-10(18-12(4,5)19-13)9-8(16-13)7-15-11(2,3)17-9/h8-10H,6-7H2,1-5H3/t8?,9?,10?,13-/m1/s1.
What are the key properties of (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
(6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane has a molecular weight of 274.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethoxy-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 22212779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).