(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one

C15H24O2 — CID 11390726

IUPAC(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one
SMILESC[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=O
InChIInChI=1S/C15H24O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-,14-,15+/m0/s1
InChIKeyXLZVKKAUANEKGL-UQXKVLDMSA-N
MW236.35 g/mol
LogP2.79
Rot. Bonds

About (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one

(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one (PubChem CID 11390726) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one.

Molecular Properties

Compound Name(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one
PubChem CID11390726
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one
SMILESC[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=O
InChIInChI=1S/C15H24O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-,14-,15+/m0/s1
InChIKeyXLZVKKAUANEKGL-UQXKVLDMSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one with MolForge

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Related Compounds

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CID 112005
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CID 591896
(4S,4aS,6S,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 15226665
9-Hydroxy-1,9,11-trimethyltricyclo[5.3.1.03,8]undecane-2,4,10-trione
CID 72785149
(4R,4aR,6R,8aR)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 102247107
2-Hydroxypinocamphone, (1R,2R,5R)-(+)-
CID 6553882
(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo(3.1.1)heptan-3-one
CID 11126668
Penicillone A
CID 11288148
(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid
CID 154699551
7-ethyl-7-hydroxy-4a,6a-dimethyl-3,4,4b,6,8,9,10,10a,10b,11,12,12a-dodecahydro-1H-chrysene-2,5-dione
CID 227057
5,9-Methanobenzocycloocten-11-one, dodecahydro-4a-hydroxy-10-methyl-
CID 3717654
(4aS,8S,8aR)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
CID 101611687

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one?
The IUPAC name of (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one (CID 11390726) is (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one.
What is the SMILES notation for (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one?
The canonical SMILES for (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one is C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=O.
What is the InChIKey of (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one?
The InChIKey is XLZVKKAUANEKGL-UQXKVLDMSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-,14-,15+/m0/s1.
What are the key properties of (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one?
(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one has a molecular weight of 236.35 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one is sourced from PubChem (CID 11390726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).