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

C13H18O2 — CID 10954729

IUPAC(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESCO[C@]12CC[C@]3(C1)C(=CC2=O)CCC3C
InChIInChI=1S/C13H18O2/c1-9-3-4-10-7-11(14)13(15-2)6-5-12(9,10)8-13/h7,9H,3-6,8H2,1-2H3/t9?,12-,13-/m1/s1
InChIKeyDOSDDPFFIQMOHU-VFVWQQSLSA-N
MW206.28 g/mol
LogP2.48
Rot. Bonds1

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

(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one (PubChem CID 10954729) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one.

Molecular Properties

Compound Name(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
PubChem CID10954729
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESCO[C@]12CC[C@]3(C1)C(=CC2=O)CCC3C
InChIInChI=1S/C13H18O2/c1-9-3-4-10-7-11(14)13(15-2)6-5-12(9,10)8-13/h7,9H,3-6,8H2,1-2H3/t9?,12-,13-/m1/s1
InChIKeyDOSDDPFFIQMOHU-VFVWQQSLSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(10S,13S,17S)-17-(2-methoxyacetyl)-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 68658210
(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10954393
(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10998193
(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 11137980
(1S,2R,7S,8R)-3,3-dimethoxy-7-methyltricyclo[6.2.1.02,7]undeca-5,9-dien-4-one
CID 100915077
1-Methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
CID 130030589

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The IUPAC name of (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one (CID 10954729) is (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one.
What is the SMILES notation for (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The canonical SMILES for (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one is CO[C@]12CC[C@]3(C1)C(=CC2=O)CCC3C.
What is the InChIKey of (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The InChIKey is DOSDDPFFIQMOHU-VFVWQQSLSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-3-4-10-7-11(14)13(15-2)6-5-12(9,10)8-13/h7,9H,3-6,8H2,1-2H3/t9?,12-,13-/m1/s1.
What are the key properties of (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one has a molecular weight of 206.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one is sourced from PubChem (CID 10954729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).