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

C14H24O — CID 98047174

IUPAC(1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
SMILESC[C@H]1CC[C@]2(O)[C@@H]3CC[C@H](C[C@H]31)C2(C)C
InChIInChI=1S/C14H24O/c1-9-6-7-14(15)12-5-4-10(8-11(9)12)13(14,2)3/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12+,14-/m0/s1
InChIKeyHRRXRUJXRFKNLU-XJGUIPMBSA-N
MW208.34 g/mol
LogP3.22
Rot. Bonds

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

(1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol (PubChem CID 98047174) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol.

Molecular Properties

Compound Name(1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
PubChem CID98047174
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
SMILESC[C@H]1CC[C@]2(O)[C@@H]3CC[C@H](C[C@H]31)C2(C)C
InChIInChI=1S/C14H24O/c1-9-6-7-14(15)12-5-4-10(8-11(9)12)13(14,2)3/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12+,14-/m0/s1
InChIKeyHRRXRUJXRFKNLU-XJGUIPMBSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

4-methyl-3-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328518
(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol
CID 101188947
(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
(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
1,7,7-trimethyl-2-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)bicyclo[2.2.1]heptane
CID 91605552
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
CID 175971620
1-[(3S,3aS,5R,8R,8aS)-8-hydroxy-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]ethanone
CID 11447439
1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol
CID 25082929
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
(1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[h]azulene-4,4a-diol
CID 15275582
1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[h]azulene-4,4a-diol
CID 4137034
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196

Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
The IUPAC name of (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol (CID 98047174) is (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol.
What is the SMILES notation for (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
The canonical SMILES for (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol is C[C@H]1CC[C@]2(O)[C@@H]3CC[C@H](C[C@H]31)C2(C)C.
What is the InChIKey of (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
The InChIKey is HRRXRUJXRFKNLU-XJGUIPMBSA-N. The full InChI is InChI=1S/C14H24O/c1-9-6-7-14(15)12-5-4-10(8-11(9)12)13(14,2)3/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12+,14-/m0/s1.
What are the key properties of (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol?
(1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol has a molecular weight of 208.34 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol is sourced from PubChem (CID 98047174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).