(1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol

C13H16O2 — CID 10512393

IUPAC(1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol
SMILESC=C1C(O)[C@@]2(OC)C=C[C@@H]1[C@@H]1CC=C[C@@H]12
InChIInChI=1S/C13H16O2/c1-8-9-6-7-13(15-2,12(8)14)11-5-3-4-10(9)11/h3,5-7,9-12,14H,1,4H2,2H3/t9-,10-,11-,12?,13+/m0/s1
InChIKeyIVLICFWDULUAAL-HOJJEXJGSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds1

About (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol

(1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol (PubChem CID 10512393) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol.

Molecular Properties

Compound Name(1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol
PubChem CID10512393
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol
SMILESC=C1C(O)[C@@]2(OC)C=C[C@@H]1[C@@H]1CC=C[C@@H]12
InChIInChI=1S/C13H16O2/c1-8-9-6-7-13(15-2,12(8)14)11-5-3-4-10(9)11/h3,5-7,9-12,14H,1,4H2,2H3/t9-,10-,11-,12?,13+/m0/s1
InChIKeyIVLICFWDULUAAL-HOJJEXJGSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol 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,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol?
The IUPAC name of (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol (CID 10512393) is (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol.
What is the SMILES notation for (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol?
The canonical SMILES for (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol is C=C1C(O)[C@@]2(OC)C=C[C@@H]1[C@@H]1CC=C[C@@H]12.
What is the InChIKey of (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol?
The InChIKey is IVLICFWDULUAAL-HOJJEXJGSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-9-6-7-13(15-2,12(8)14)11-5-3-4-10(9)11/h3,5-7,9-12,14H,1,4H2,2H3/t9-,10-,11-,12?,13+/m0/s1.
What are the key properties of (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol?
(1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol has a molecular weight of 204.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7R)-7-methoxy-9-methylidenetricyclo[5.2.2.02,6]undeca-4,10-dien-8-ol is sourced from PubChem (CID 10512393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).