(1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol

C11H18O4 — CID 101063403

IUPAC(1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
SMILESCC1(C)OC[C@@H]2[C@H]3CC(O)O[C@H]3C[C@H]2O1
InChIInChI=1S/C11H18O4/c1-11(2)13-5-7-6-3-10(12)14-8(6)4-9(7)15-11/h6-10,12H,3-5H2,1-2H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyMKSUXNPHXZMXLM-ZKZCYXTQSA-N
MW214.26 g/mol
LogP0.88
Rot. Bonds

About (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol

(1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol (PubChem CID 101063403) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol.

Molecular Properties

Compound Name(1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
PubChem CID101063403
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
SMILESCC1(C)OC[C@@H]2[C@H]3CC(O)O[C@H]3C[C@H]2O1
InChIInChI=1S/C11H18O4/c1-11(2)13-5-7-6-3-10(12)14-8(6)4-9(7)15-11/h6-10,12H,3-5H2,1-2H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyMKSUXNPHXZMXLM-ZKZCYXTQSA-N
XLogP0.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol with MolForge

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Related Compounds

2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322
2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6-carboxylic acid
CID 142006736
(3aR,4S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 71166935
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 158452433
(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 12719632
(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11436871
(4aR,7S,7aS)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 102332171
(3aR,6R,7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 91250411
(5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 12613921
[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol
CID 142059683

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
The IUPAC name of (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol (CID 101063403) is (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol.
What is the SMILES notation for (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
The canonical SMILES for (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol is CC1(C)OC[C@@H]2[C@H]3CC(O)O[C@H]3C[C@H]2O1.
What is the InChIKey of (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
The InChIKey is MKSUXNPHXZMXLM-ZKZCYXTQSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2)13-5-7-6-3-10(12)14-8(6)4-9(7)15-11/h6-10,12H,3-5H2,1-2H3/t6-,7-,8+,9-,10?/m1/s1.
What are the key properties of (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
(1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol has a molecular weight of 214.26 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol is sourced from PubChem (CID 101063403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).