(1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene

C13H16O2 — CID 10375644

IUPAC(1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCO[C@H]1[C@@H]2c3ccccc3[C@H]1C[C@@H]2OC
InChIInChI=1S/C13H16O2/c1-14-11-7-10-8-5-3-4-6-9(8)12(11)13(10)15-2/h3-6,10-13H,7H2,1-2H3/t10-,11+,12-,13-/m1/s1
InChIKeyLTONKWFUYVBPKP-YVECIDJPSA-N
MW204.27 g/mol
LogP2.30
Rot. Bonds2

About (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene

(1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 10375644) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID10375644
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCO[C@H]1[C@@H]2c3ccccc3[C@H]1C[C@@H]2OC
InChIInChI=1S/C13H16O2/c1-14-11-7-10-8-5-3-4-6-9(8)12(11)13(10)15-2/h3-6,10-13H,7H2,1-2H3/t10-,11+,12-,13-/m1/s1
InChIKeyLTONKWFUYVBPKP-YVECIDJPSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene with MolForge

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Related Compounds

9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2(R(S))-yl sulfate (8)
CID 129012252
9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2(R(S))-diol (9)
CID 129012253
(11-Hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) nitrate
CID 45272169
[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate
CID 46888470
1,4-Methanonaphthalene, 2,3-epoxy-1,2,3,4-tetrahydro-, exo-2,3-
CID 582272
Spiro(tricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene)-7,1'-cyclopropane
CID 588429
(1aS)-2beta,7beta-Methano-1aalpha,2,7,7aalpha-tetrahydronaphtho[2,3-b]oxirene
CID 13467286
(1R,8S,9S,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol
CID 11182942
1,2,3,4-Tetrahydro-1,4-methano-naphthalene-2,3-diol
CID 13166975
1,4-Methanonaphthalene-1(2H)-methanol, 2-(acetyloxy)-3,4-dihydro-, acetate
CID 372428
1,2,3,4-Tetrahydro-1,4-methanonaphthalen-2-yl formate
CID 267195
1,4-Methanonaphthalen-2-ol, 1,2,3,4-tetrahydro-, endo-
CID 575760

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 10375644) is (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene is CO[C@H]1[C@@H]2c3ccccc3[C@H]1C[C@@H]2OC.
What is the InChIKey of (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is LTONKWFUYVBPKP-YVECIDJPSA-N. The full InChI is InChI=1S/C13H16O2/c1-14-11-7-10-8-5-3-4-6-9(8)12(11)13(10)15-2/h3-6,10-13H,7H2,1-2H3/t10-,11+,12-,13-/m1/s1.
What are the key properties of (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 204.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9S,11R)-9,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 10375644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).