(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol

C15H26O2 — CID 122211308

IUPAC(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
SMILESC[C@H]1CC[C@@]2(O)[C@@](C)(CO)[C@@H]3CC[C@@]2(C)[C@H]1C3
InChIInChI=1S/C15H26O2/c1-10-4-7-15(17)13(2)6-5-11(8-12(10)13)14(15,3)9-16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15-/m0/s1
InChIKeyXSEXCOHUPLPNCB-IWTMDLJTSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds1

About (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol

(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol (PubChem CID 122211308) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol.

Molecular Properties

Compound Name(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
PubChem CID122211308
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
SMILESC[C@H]1CC[C@@]2(O)[C@@](C)(CO)[C@@H]3CC[C@@]2(C)[C@H]1C3
InChIInChI=1S/C15H26O2/c1-10-4-7-15(17)13(2)6-5-11(8-12(10)13)14(15,3)9-16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15-/m0/s1
InChIKeyXSEXCOHUPLPNCB-IWTMDLJTSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol with MolForge

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Related Compounds

6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
CID 162979505
2,5-dimethyltetracyclo[4.3.0.01,8.02,9]nonane
CID 123838216
7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane
CID 142049190
2,3,6,8-tetramethyltricyclo[5.3.1.03,8]undecane
CID 155607777
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570
(1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one
CID 134857045
[7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
CID 162900260
(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 129433767
(1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 98137939
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol
CID 174614678
(1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99979364
4-methyl-3-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328518

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
The IUPAC name of (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol (CID 122211308) is (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol.
What is the SMILES notation for (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
The canonical SMILES for (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol is C[C@H]1CC[C@@]2(O)[C@@](C)(CO)[C@@H]3CC[C@@]2(C)[C@H]1C3.
What is the InChIKey of (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
The InChIKey is XSEXCOHUPLPNCB-IWTMDLJTSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-4-7-15(17)13(2)6-5-11(8-12(10)13)14(15,3)9-16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15-/m0/s1.
What are the key properties of (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol has a molecular weight of 238.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol is sourced from PubChem (CID 122211308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).