(1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene

C13H20O2 — CID 134993778

IUPAC(1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
SMILESCOCC1=C[C@H]2C=C[C@]1(OC)CCCC2
InChIInChI=1S/C13H20O2/c1-14-10-12-9-11-5-3-4-7-13(12,15-2)8-6-11/h6,8-9,11H,3-5,7,10H2,1-2H3/t11-,13-/m1/s1
InChIKeyXNAPFFJRPVMMQN-DGCLKSJQSA-N
MW208.30 g/mol
LogP2.70
Rot. Bonds3

About (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene

(1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene (PubChem CID 134993778) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene.

Molecular Properties

Compound Name(1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
PubChem CID134993778
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
SMILESCOCC1=C[C@H]2C=C[C@]1(OC)CCCC2
InChIInChI=1S/C13H20O2/c1-14-10-12-9-11-5-3-4-7-13(12,15-2)8-6-11/h6,8-9,11H,3-5,7,10H2,1-2H3/t11-,13-/m1/s1
InChIKeyXNAPFFJRPVMMQN-DGCLKSJQSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296
3-[1-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-6,6-dimethyl-3H-1,2-dioxine
CID 163042006
1-Methoxybicyclo[4.2.2]deca-7,9-diene
CID 14040623
1-[(Propan-2-yl)oxy]bicyclo[4.2.2]deca-7,9-diene
CID 14040625
(4R)-1-(1-methoxyethyl)-4-methylcyclohexene
CID 155434955
1-Ethoxybicyclo[4.2.2]deca-7,9-diene
CID 14040624
(1S,6S)-1-methoxy-7-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
CID 134982505
(1S,6S)-1-ethoxy-7-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
CID 134982883
(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
CID 134982976
(1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
CID 134982977
(1R,6R)-1-ethoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene
CID 134993531

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene?
The IUPAC name of (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene (CID 134993778) is (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene.
What is the SMILES notation for (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene?
The canonical SMILES for (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene is COCC1=C[C@H]2C=C[C@]1(OC)CCCC2.
What is the InChIKey of (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene?
The InChIKey is XNAPFFJRPVMMQN-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H20O2/c1-14-10-12-9-11-5-3-4-7-13(12,15-2)8-6-11/h6,8-9,11H,3-5,7,10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene?
(1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene has a molecular weight of 208.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-methoxy-8-(methoxymethyl)bicyclo[4.2.2]deca-7,9-diene is sourced from PubChem (CID 134993778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).