(1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one

C13H16O — CID 15818376

IUPAC(1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one
SMILESCC1(C)C2=CC=C[C@H]2[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C13H16O/c1-13(2)10-5-3-4-9(10)8-6-11(13)12(14)7-8/h3-5,8-9,11H,6-7H2,1-2H3/t8-,9+,11+/m1/s1
InChIKeyVYKPNBOVIKDWPR-YWVKMMECSA-N
MW188.27 g/mol
LogP2.73
Rot. Bonds

About (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one

(1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one (PubChem CID 15818376) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one.

Molecular Properties

Compound Name(1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one
PubChem CID15818376
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one
SMILESCC1(C)C2=CC=C[C@H]2[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C13H16O/c1-13(2)10-5-3-4-9(10)8-6-11(13)12(14)7-8/h3-5,8-9,11H,6-7H2,1-2H3/t8-,9+,11+/m1/s1
InChIKeyVYKPNBOVIKDWPR-YWVKMMECSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one with MolForge

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Related Compounds

(3'aS,4'S)-4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3a,4-dihydroindene]-5'-one
CID 15309697
3,3-dimethyl-7,7a-dihydro-2H-inden-1-one
CID 174371674
methyl 1-(4-chlorophenyl)-4,4-dimethyl-1,2,3,7a-tetrahydrocyclopenta[c]pyridine-3-carboxylate
CID 102203739
6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene
CID 163467711
3,3-dimethyl-6-methylidene-4,4a,5,8a-tetrahydro-2H-naphthalen-1-one
CID 101062057
(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
CID 10986171
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
6,6-dimethylbicyclo[3.1.1]heptane-2,4-dione
CID 58586460
3-(5-methyl-6-oxocyclohexa-2,4-dien-1-yl)piperidine-2,6-dione
CID 155680568
(1R,5R)-2,4,4-trimethylbicyclo[3.2.1]oct-2-en-6-one
CID 134981611
(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione
CID 130863271
5-hydroxy-2,3,4a,8a-tetrahydronaphthalene-1,4-dione
CID 76684149

Frequently Asked Questions

What is the IUPAC name of (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one?
The IUPAC name of (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one (CID 15818376) is (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one.
What is the SMILES notation for (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one?
The canonical SMILES for (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one is CC1(C)C2=CC=C[C@H]2[C@H]2CC(=O)[C@@H]1C2.
What is the InChIKey of (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one?
The InChIKey is VYKPNBOVIKDWPR-YWVKMMECSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2)10-5-3-4-9(10)8-6-11(13)12(14)7-8/h3-5,8-9,11H,6-7H2,1-2H3/t8-,9+,11+/m1/s1.
What are the key properties of (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one?
(1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one has a molecular weight of 188.27 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one is sourced from PubChem (CID 15818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).