(1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one

C12H16O2 — CID 130875040

IUPAC(1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESC[C@H]1CCC2=CC(=O)[C@H]3CC(O)[C@]21C3
InChIInChI=1S/C12H16O2/c1-7-2-3-9-5-10(13)8-4-11(14)12(7,9)6-8/h5,7-8,11,14H,2-4,6H2,1H3/t7-,8-,11?,12-/m0/s1
InChIKeyMAJPPPNJYYHXGO-UIMOBVIFSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds

About (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one

(1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one (PubChem CID 130875040) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one.

Molecular Properties

Compound Name(1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
PubChem CID130875040
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESC[C@H]1CCC2=CC(=O)[C@H]3CC(O)[C@]21C3
InChIInChI=1S/C12H16O2/c1-7-2-3-9-5-10(13)8-4-11(14)12(7,9)6-8/h5,7-8,11,14H,2-4,6H2,1H3/t7-,8-,11?,12-/m0/s1
InChIKeyMAJPPPNJYYHXGO-UIMOBVIFSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one
CID 10242024
4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one
CID 71439092
(1R)-7a-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 15126341
2-(7-hydroxy-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl)prop-2-enoic acid
CID 163036958
9-fluoro-2-formyl-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
CID 91607917
(8R,9S,10R,13S,14S,17R)-17-hydroxy-2,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 54053857
CID 59809883
CID 59809883
(1S)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 13033866
5-hydroxy-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 68964317
(4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 176717300
(8R,9S,10R,13S,14S,17S)-2,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 22842098
(3S,4aR,5S,7R)-7-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 132520159

Frequently Asked Questions

What is the IUPAC name of (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The IUPAC name of (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one (CID 130875040) is (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one.
What is the SMILES notation for (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The canonical SMILES for (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one is C[C@H]1CCC2=CC(=O)[C@H]3CC(O)[C@]21C3.
What is the InChIKey of (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The InChIKey is MAJPPPNJYYHXGO-UIMOBVIFSA-N. The full InChI is InChI=1S/C12H16O2/c1-7-2-3-9-5-10(13)8-4-11(14)12(7,9)6-8/h5,7-8,11,14H,2-4,6H2,1H3/t7-,8-,11?,12-/m0/s1.
What are the key properties of (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
(1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one has a molecular weight of 192.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one is sourced from PubChem (CID 130875040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).