(2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one

C15H24O3 — CID 11043244

IUPAC(2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one
SMILESCC(C)(O)[C@H]1C[C@H](O)C2(C)C3CC[C@]2(C)C(=O)[C@@H]31
InChIInChI=1S/C15H24O3/c1-13(2,18)9-7-10(16)15(4)8-5-6-14(15,3)12(17)11(8)9/h8-11,16,18H,5-7H2,1-4H3/t8?,9-,10-,11-,14+,15?/m0/s1
InChIKeyAUKRSFWNNGSNMH-BOAWMDNBSA-N
MW252.35 g/mol
LogP1.76
Rot. Bonds1

About (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one

(2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one (PubChem CID 11043244) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one.

Molecular Properties

Compound Name(2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one
PubChem CID11043244
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one
SMILESCC(C)(O)[C@H]1C[C@H](O)C2(C)C3CC[C@]2(C)C(=O)[C@@H]31
InChIInChI=1S/C15H24O3/c1-13(2,18)9-7-10(16)15(4)8-5-6-14(15,3)12(17)11(8)9/h8-11,16,18H,5-7H2,1-4H3/t8?,9-,10-,11-,14+,15?/m0/s1
InChIKeyAUKRSFWNNGSNMH-BOAWMDNBSA-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 (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one with MolForge

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Related Compounds

(1R,2S,3S,5S,6S,8S)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricyclo[4.4.0.02,8]decan-7-one
CID 44559639
(1R,3S,4S)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 98545590
(1R,3S)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 131181862
(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one
CID 98043952
(1R,4R)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl]bicyclo[2.2.1]heptan-2-one
CID 10936436
(1S,3R,4R,4aR,5S,6R,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,3,5-triol
CID 93063285
(1S,5R,6S)-6-(2-hydroxypropan-2-yl)-1-methyl-2-oxabicyclo[3.3.1]nonan-3-one
CID 805050
(5S,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 154369286
(2R,6S)-6-hydroxy-5-[(3R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(2-hydroxypropan-2-yl)oxan-3-one
CID 11973881
(1S,3S,4R)-3-(dimethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 102518889
(1S,3S,4R)-1,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-one
CID 23240115
7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 162870708

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one?
The IUPAC name of (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one (CID 11043244) is (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one.
What is the SMILES notation for (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one?
The canonical SMILES for (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one is CC(C)(O)[C@H]1C[C@H](O)C2(C)C3CC[C@]2(C)C(=O)[C@@H]31.
What is the InChIKey of (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one?
The InChIKey is AUKRSFWNNGSNMH-BOAWMDNBSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(2,18)9-7-10(16)15(4)8-5-6-14(15,3)12(17)11(8)9/h8-11,16,18H,5-7H2,1-4H3/t8?,9-,10-,11-,14+,15?/m0/s1.
What are the key properties of (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one?
(2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-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 (2S,3S,5S,6S,8S)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.02,8]decan-7-one is sourced from PubChem (CID 11043244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).