(1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one

C15H24O3 — CID 139587794

IUPAC(1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one
SMILESC[C@]1(CO)CCC[C@@]2(C)[C@H]3C(=O)C[C@]2(C)[C@H](O)[C@H]31
InChIInChI=1S/C15H24O3/c1-13(8-16)5-4-6-14(2)10-9(17)7-15(14,3)12(18)11(10)13/h10-12,16,18H,4-8H2,1-3H3/t10-,11-,12+,13+,14-,15+/m0/s1
InChIKeyBLLSFQDOGXKOPW-JRULLXGZSA-N
MW252.35 g/mol
LogP1.76
Rot. Bonds1

About (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one

(1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one (PubChem CID 139587794) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one.

Molecular Properties

Compound Name(1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one
PubChem CID139587794
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one
SMILESC[C@]1(CO)CCC[C@@]2(C)[C@H]3C(=O)C[C@]2(C)[C@H](O)[C@H]31
InChIInChI=1S/C15H24O3/c1-13(8-16)5-4-6-14(2)10-9(17)7-15(14,3)12(18)11(10)13/h10-12,16,18H,4-8H2,1-3H3/t10-,11-,12+,13+,14-,15+/m0/s1
InChIKeyBLLSFQDOGXKOPW-JRULLXGZSA-N
XLogP1.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one with MolForge

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Related Compounds

(+)-exo-5-Hydroxycamphor
CID 447414
5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 189214
(1S,4S,5S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 21145050
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 287668
6-Hydroxycamphor
CID 25478
(+)-6-Endo-hydroxycamphor
CID 57339278
Hydroxy-3-endo-bornanone-2
CID 140836
2-Bornanone, 3-hydroxy-, exo-
CID 185510
5-Hydroxy-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one
CID 440017
(1R,2S,7S,8S,9R)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
CID 10955556
NCGC00381369-01_C15H22O4_3a,7-Ethano-3aH-indene-4-carboxylic acid, octahydro-6-hydroxy-3,8,8-trimethyl-2-oxo-
CID 75368793
6-Hydroxyfenchone
CID 14606066

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one?
The IUPAC name of (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one (CID 139587794) is (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one.
What is the SMILES notation for (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one?
The canonical SMILES for (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one is C[C@]1(CO)CCC[C@@]2(C)[C@H]3C(=O)C[C@]2(C)[C@H](O)[C@H]31.
What is the InChIKey of (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one?
The InChIKey is BLLSFQDOGXKOPW-JRULLXGZSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(8-16)5-4-6-14(2)10-9(17)7-15(14,3)12(18)11(10)13/h10-12,16,18H,4-8H2,1-3H3/t10-,11-,12+,13+,14-,15+/m0/s1.
What are the key properties of (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one?
(1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one has a molecular weight of 252.35 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7R,8R,9S)-8-hydroxy-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-11-one is sourced from PubChem (CID 139587794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).