(1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol

C13H22O2 — CID 134978645

IUPAC(1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol
SMILESC[C@@]1(O)CC[C@@]23CCC[C@@H]2CC[C@]1(O)C3
InChIInChI=1S/C13H22O2/c1-11(14)7-8-12-5-2-3-10(12)4-6-13(11,15)9-12/h10,14-15H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1
InChIKeyZDVLYFCYYNNWSL-LPWJVIDDSA-N
MW210.32 g/mol
LogP2.23
Rot. Bonds

About (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol

(1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol (PubChem CID 134978645) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol.

Molecular Properties

Compound Name(1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol
PubChem CID134978645
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol
SMILESC[C@@]1(O)CC[C@@]23CCC[C@@H]2CC[C@]1(O)C3
InChIInChI=1S/C13H22O2/c1-11(14)7-8-12-5-2-3-10(12)4-6-13(11,15)9-12/h10,14-15H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1
InChIKeyZDVLYFCYYNNWSL-LPWJVIDDSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol with MolForge

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Related Compounds

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CID 123707338
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CID 15105152
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
1-cyclopentyl-2,2-dimethylcyclopropan-1-amine
CID 83682013
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1-cycloheptyl-2-methylcyclohexane-1,2-diamine
CID 129213673
spiro[2.4]heptan-7-ylmethanol
CID 149455832
2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol
CID 14845624
1-cyclopentyl-2,2-dimethylcyclobutan-1-ol
CID 130554936
1-cyclobutyl-2,2-dimethylcyclobutan-1-ol
CID 130554912
1-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151

Frequently Asked Questions

What is the IUPAC name of (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol?
The IUPAC name of (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol (CID 134978645) is (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol.
What is the SMILES notation for (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol?
The canonical SMILES for (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol is C[C@@]1(O)CC[C@@]23CCC[C@@H]2CC[C@]1(O)C3.
What is the InChIKey of (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol?
The InChIKey is ZDVLYFCYYNNWSL-LPWJVIDDSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(14)7-8-12-5-2-3-10(12)4-6-13(11,15)9-12/h10,14-15H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1.
What are the key properties of (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol?
(1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol has a molecular weight of 210.32 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8S,9R)-9-methyltricyclo[6.3.1.01,5]dodecane-8,9-diol is sourced from PubChem (CID 134978645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).