(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one

C14H22O2 — CID 10933063

IUPAC(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one
SMILESC[C@@]1(CO)CCC[C@]2(C)[C@H]3CC[C@@]12C(=O)C3
InChIInChI=1S/C14H22O2/c1-12(9-15)5-3-6-13(2)10-4-7-14(12,13)11(16)8-10/h10,15H,3-9H2,1-2H3/t10-,12-,13+,14+/m0/s1
InChIKeyLXQVLVUEOFPABH-SCUASFONSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds1

About (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one

(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one (PubChem CID 10933063) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one.

Molecular Properties

Compound Name(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one
PubChem CID10933063
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one
SMILESC[C@@]1(CO)CCC[C@]2(C)[C@H]3CC[C@@]12C(=O)C3
InChIInChI=1S/C14H22O2/c1-12(9-15)5-3-6-13(2)10-4-7-14(12,13)11(16)8-10/h10,15H,3-9H2,1-2H3/t10-,12-,13+,14+/m0/s1
InChIKeyLXQVLVUEOFPABH-SCUASFONSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one with MolForge

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Related Compounds

7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827
(1S,4R,7R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 98550073
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 15546633
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
(1R,4R)-1-(1,2-dihydroxyethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 15479319
(1S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 129418603
[(1R,4R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 11180889
ethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 161096560
(1S,4S,7R)-7-(2-hydroxyethylsulfanylmethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 7140234

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one?
The IUPAC name of (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one (CID 10933063) is (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one.
What is the SMILES notation for (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one?
The canonical SMILES for (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one is C[C@@]1(CO)CCC[C@]2(C)[C@H]3CC[C@@]12C(=O)C3.
What is the InChIKey of (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one?
The InChIKey is LXQVLVUEOFPABH-SCUASFONSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(9-15)5-3-6-13(2)10-4-7-14(12,13)11(16)8-10/h10,15H,3-9H2,1-2H3/t10-,12-,13+,14+/m0/s1.
What are the key properties of (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one?
(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one has a molecular weight of 222.33 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one is sourced from PubChem (CID 10933063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).