(1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol

C15H26O2 — CID 21119328

IUPAC(1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
SMILESCC1(C)CCC[C@]2(C)[C@@H]3[C@H]1[C@@H](O)[C@@]2(C)C[C@H]3O
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,14-,15-/m1/s1
InChIKeyVWMGBHVRRNKOAE-ZLSAFIHNSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds

About (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol

(1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol (PubChem CID 21119328) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol.

Molecular Properties

Compound Name(1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
PubChem CID21119328
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
SMILESCC1(C)CCC[C@]2(C)[C@@H]3[C@H]1[C@@H](O)[C@@]2(C)C[C@H]3O
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,14-,15-/m1/s1
InChIKeyVWMGBHVRRNKOAE-ZLSAFIHNSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The IUPAC name of (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol (CID 21119328) is (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol.
What is the SMILES notation for (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The canonical SMILES for (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol is CC1(C)CCC[C@]2(C)[C@@H]3[C@H]1[C@@H](O)[C@@]2(C)C[C@H]3O.
What is the InChIKey of (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The InChIKey is VWMGBHVRRNKOAE-ZLSAFIHNSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,14-,15-/m1/s1.
What are the key properties of (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
(1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol has a molecular weight of 238.37 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol is sourced from PubChem (CID 21119328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).