(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one

C14H22O2 — CID 15546633

IUPAC(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
SMILESCC1(C)CCC[C@]2(C)[C@@H]3CC(=O)[C@]12C[C@@H]3O
InChIInChI=1S/C14H22O2/c1-12(2)5-4-6-13(3)9-7-11(16)14(12,13)8-10(9)15/h9-10,15H,4-8H2,1-3H3/t9-,10+,13-,14-/m1/s1
InChIKeyUWCLTLUJLPJWOL-RDBQEKCUSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds

About (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one

(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one (PubChem CID 15546633) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one.

Molecular Properties

Compound Name(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
PubChem CID15546633
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
SMILESCC1(C)CCC[C@]2(C)[C@@H]3CC(=O)[C@]12C[C@@H]3O
InChIInChI=1S/C14H22O2/c1-12(2)5-4-6-13(3)9-7-11(16)14(12,13)8-10(9)15/h9-10,15H,4-8H2,1-3H3/t9-,10+,13-,14-/m1/s1
InChIKeyUWCLTLUJLPJWOL-RDBQEKCUSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one with MolForge

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Related Compounds

(1S,3S,6R,7R,11S)-3-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 21457240
2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol
CID 534645
4,4,7,11-tetramethyltetracyclo[5.5.0.01,11.02,6]dodecan-12-ol
CID 166036441
(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 10933063
(1aR,3aS,7aR)-3a,4,4-trimethyl-1,1a,2,5,6,7-hexahydrocyclopropa[c]inden-3-one
CID 135020031
(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 101316913
(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one
CID 134922448
(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
CID 162623234
(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one
CID 135041682
(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol
CID 10988274
(7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 54350507
9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 162973711

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one?
The IUPAC name of (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one (CID 15546633) is (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one.
What is the SMILES notation for (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one?
The canonical SMILES for (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one is CC1(C)CCC[C@]2(C)[C@@H]3CC(=O)[C@]12C[C@@H]3O.
What is the InChIKey of (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one?
The InChIKey is UWCLTLUJLPJWOL-RDBQEKCUSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(2)5-4-6-13(3)9-7-11(16)14(12,13)8-10(9)15/h9-10,15H,4-8H2,1-3H3/t9-,10+,13-,14-/m1/s1.
What are the key properties of (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one?
(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one has a molecular weight of 222.33 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one is sourced from PubChem (CID 15546633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).