(1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene

C13H18O2 — CID 134875520

IUPAC(1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene
SMILESCO[C@H]1C=C[C@@H](OC)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H18O2/c1-14-10-5-6-11(15-2)13-9-4-3-8(7-9)12(10)13/h3-6,8-13H,7H2,1-2H3/t8-,9+,10+,11-,12+,13-
InChIKeyROZHAYJGBBWTPC-FXGIYHRPSA-N
MW206.28 g/mol
LogP2.02
Rot. Bonds2

About (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene

(1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene (PubChem CID 134875520) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene.

Molecular Properties

Compound Name(1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene
PubChem CID134875520
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene
SMILESCO[C@H]1C=C[C@@H](OC)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H18O2/c1-14-10-5-6-11(15-2)13-9-4-3-8(7-9)12(10)13/h3-6,8-13H,7H2,1-2H3/t8-,9+,10+,11-,12+,13-
InChIKeyROZHAYJGBBWTPC-FXGIYHRPSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene?
The IUPAC name of (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene (CID 134875520) is (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene.
What is the SMILES notation for (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene?
The canonical SMILES for (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene is CO[C@H]1C=C[C@@H](OC)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene?
The InChIKey is ROZHAYJGBBWTPC-FXGIYHRPSA-N. The full InChI is InChI=1S/C13H18O2/c1-14-10-5-6-11(15-2)13-9-4-3-8(7-9)12(10)13/h3-6,8-13H,7H2,1-2H3/t8-,9+,10+,11-,12+,13-.
What are the key properties of (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene?
(1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene has a molecular weight of 206.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene is sourced from PubChem (CID 134875520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).