[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate

C15H20O4 — CID 11065318

IUPAC[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
SMILESCOCO[C@H]1C=C[C@@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C15H20O4/c1-9(16)19-13-6-5-12(18-8-17-2)14-10-3-4-11(7-10)15(13)14/h3-6,10-15H,7-8H2,1-2H3/t10-,11+,12+,13-,14+,15-/m1/s1
InChIKeyCAXUIKDRWIKIQE-ULXLPNHUSA-N
MW264.32 g/mol
LogP1.92
Rot. Bonds4

About [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate

[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate (PubChem CID 11065318) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate.

Molecular Properties

Compound Name[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
PubChem CID11065318
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
SMILESCOCO[C@H]1C=C[C@@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C15H20O4/c1-9(16)19-13-6-5-12(18-8-17-2)14-10-3-4-11(7-10)15(13)14/h3-6,10-15H,7-8H2,1-2H3/t10-,11+,12+,13-,14+,15-/m1/s1
InChIKeyCAXUIKDRWIKIQE-ULXLPNHUSA-N
XLogP1.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
The IUPAC name of [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate (CID 11065318) is [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate.
What is the SMILES notation for [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
The canonical SMILES for [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate is COCO[C@H]1C=C[C@@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
The InChIKey is CAXUIKDRWIKIQE-ULXLPNHUSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(16)19-13-6-5-12(18-8-17-2)14-10-3-4-11(7-10)15(13)14/h3-6,10-15H,7-8H2,1-2H3/t10-,11+,12+,13-,14+,15-/m1/s1.
What are the key properties of [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate?
[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate has a molecular weight of 264.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate is sourced from PubChem (CID 11065318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).