(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol

C15H26O2 — CID 146158844

IUPAC(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
SMILESCC1CCC2C(C)(C)C3C[C@]12CC[C@]3(O)CO
InChIInChI=1S/C15H26O2/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12,17)9-16/h10-12,16-17H,4-9H2,1-3H3/t10?,11?,12?,14-,15+/m1/s1
InChIKeyQKTKMDSUFFRLDB-ZFFQGIBWSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds1

About (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol

(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol (PubChem CID 146158844) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol.

Molecular Properties

Compound Name(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
PubChem CID146158844
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
SMILESCC1CCC2C(C)(C)C3C[C@]12CC[C@]3(O)CO
InChIInChI=1S/C15H26O2/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12,17)9-16/h10-12,16-17H,4-9H2,1-3H3/t10?,11?,12?,14-,15+/m1/s1
InChIKeyQKTKMDSUFFRLDB-ZFFQGIBWSA-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,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol with MolForge

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Related Compounds

[(1S,2R,5R,7S,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 98139389
[(1S,2R,5S,7R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 122610127
[(1R,2R,5R,7S,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 927604
[(2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 134736182
(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyl-8-(3-methylbut-2-enoxy)tricyclo[5.3.1.01,5]undecane
CID 90474697
[(2R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] 2,2-dimethylbutanoate
CID 59923297
[(1S,2R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] 2,2-dimethylbutanoate
CID 59038763
(1R,3aR,5S,6R,7aR)-7a-ethyl-1,4,4-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene-5,6-diol
CID 129073791
(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
CID 42608184
(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 150596922
(1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 1201552
methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
CID 517651

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol?
The IUPAC name of (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol (CID 146158844) is (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol.
What is the SMILES notation for (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol?
The canonical SMILES for (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol is CC1CCC2C(C)(C)C3C[C@]12CC[C@]3(O)CO.
What is the InChIKey of (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol?
The InChIKey is QKTKMDSUFFRLDB-ZFFQGIBWSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12,17)9-16/h10-12,16-17H,4-9H2,1-3H3/t10?,11?,12?,14-,15+/m1/s1.
What are the key properties of (1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol?
(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-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,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol is sourced from PubChem (CID 146158844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).