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

C15H26O2 — CID 101316913

IUPAC(1R,2S,7S,8S,9R,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-ACBLYQCWSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds

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

(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol (PubChem CID 101316913) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol.

Molecular Properties

Compound Name(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
PubChem CID101316913
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,7S,8S,9R,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-ACBLYQCWSA-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 (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol with MolForge

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Related Compounds

(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 98050236
9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 162973711
(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
CID 162623234
(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 15546633
(1R,2R,7R,8S,9S,10R)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
CID 138394874
(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
CID 98459467
(3S,3aS,4S,5aR,5bR,7S,7aS,11aR,11bS,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7-diol
CID 162937768
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
2,2-dimethylcyclohexan-1-ol
CID 557637
3,3,9,10-tetramethyltricyclo[7.1.1.02,7]undecan-8-ol
CID 70531905
(1R,4R,4aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
CID 11368827
(1S,4S,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
CID 135296204

Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The IUPAC name of (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol (CID 101316913) is (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol.
What is the SMILES notation for (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The canonical SMILES for (1R,2S,7S,8S,9R,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 (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The InChIKey is VWMGBHVRRNKOAE-ACBLYQCWSA-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 (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
(1R,2S,7S,8S,9R,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 (1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol is sourced from PubChem (CID 101316913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).