(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

C11H12O3 — CID 101064560

IUPAC(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESCO[C@H]1[C@@H](O)[C@@H]2O[C@H]1c1ccccc12
InChIInChI=1S/C11H12O3/c1-13-11-8(12)9-6-4-2-3-5-7(6)10(11)14-9/h2-5,8-12H,1H3/t8-,9+,10-,11-/m0/s1
InChIKeyVQMNYHCKCYISKS-VLEAKVRGSA-N
MW192.21 g/mol
LogP1.19
Rot. Bonds1

About (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (PubChem CID 101064560) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.

Molecular Properties

Compound Name(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
PubChem CID101064560
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESCO[C@H]1[C@@H](O)[C@@H]2O[C@H]1c1ccccc12
InChIInChI=1S/C11H12O3/c1-13-11-8(12)9-6-4-2-3-5-7(6)10(11)14-9/h2-5,8-12H,1H3/t8-,9+,10-,11-/m0/s1
InChIKeyVQMNYHCKCYISKS-VLEAKVRGSA-N
XLogP1.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The IUPAC name of (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (CID 101064560) is (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.
What is the SMILES notation for (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The canonical SMILES for (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is CO[C@H]1[C@@H](O)[C@@H]2O[C@H]1c1ccccc12.
What is the InChIKey of (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The InChIKey is VQMNYHCKCYISKS-VLEAKVRGSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11-8(12)9-6-4-2-3-5-7(6)10(11)14-9/h2-5,8-12H,1H3/t8-,9+,10-,11-/m0/s1.
What are the key properties of (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol has a molecular weight of 192.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is sourced from PubChem (CID 101064560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).