(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

C11H18O5 — CID 30337

IUPAC(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCC1(C)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
InChIInChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
InChIKeyNKZDPBSWYPINNF-BZNPZCIMSA-N
MW230.26 g/mol
LogP1.01
Rot. Bonds

About (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (PubChem CID 30337) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
PubChem CID30337
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCC1(C)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
InChIInChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
InChIKeyNKZDPBSWYPINNF-BZNPZCIMSA-N
XLogP1.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane with MolForge

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Related Compounds

Methyl 5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside
CID 90028
(1S,2R,6R,8S,9R)-8-(fluoromethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 10945234
1,2:3,4-Di-O-isopropylidene-b-D-arabinopyranose
CID 540512
8-(Methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 3353389
8-(Fluoromethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 13871592
[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methanol
CID 10220817
1,2,3,4-Di-O-isopropylidene-alpha-D-fucopyranose
CID 10977680
(1R,2S,6S,9R)-6-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 54273297
1,2:3,4-Bis-O-(1-methylethylidene)-beta-L-arabinopyranose
CID 2817257
2,3-4,5-Di-O-isopropylidene-1-O-methyl-beta-fructopyranose
CID 6454083
(6R,9S)-8-(fluoromethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134856841
(6R,9R)-8-(fluoromethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134857909

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (CID 30337) is (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is CC1(C)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1.
What is the InChIKey of (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The InChIKey is NKZDPBSWYPINNF-BZNPZCIMSA-N. The full InChI is InChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane has a molecular weight of 230.26 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 30337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).