3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene

C9H12O — CID 12596346

IUPAC3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(COC)C=C1
InChIInChI=1S/C9H12O/c1-8-3-5-9(6-4-8)7-10-2/h3-6,9H,1,7H2,2H3
InChIKeyIMADEVKBUFDOFH-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.93
Rot. Bonds2

About 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene

3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene (PubChem CID 12596346) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene
PubChem CID12596346
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(COC)C=C1
InChIInChI=1S/C9H12O/c1-8-3-5-9(6-4-8)7-10-2/h3-6,9H,1,7H2,2H3
InChIKeyIMADEVKBUFDOFH-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-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

3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
5-(Methoxymethyl)cyclopenta-1,3-diene
CID 12547288
2-(2-Methoxyethyl)cyclopenta-1,3-diene
CID 15825168
[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl] hypofluorite
CID 143370205
[(3Z,5Z)-2-methylidenehepta-3,5-dienyl] hypofluorite
CID 144647262
(2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene
CID 145318056
1-Methylene-6-methoxymethyl-2,4-cyclohexadiene
CID 12596345
5-(1-Ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene
CID 86227164
7-Methoxymethyl-2,7-dimethylcyclohepta-1,3,5-triene
CID 576869
5-(Methoxymethyl)cyclohexa-1,3-diene
CID 9964088
2-Deuterio-7-(methoxymethyl)-3,7-dimethylcyclohepta-1,3,5-triene
CID 12949848
2-(2-Methoxyethyl)cyclohexa-1,3-diene
CID 14290345

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene?
The IUPAC name of 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene (CID 12596346) is 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene is C=C1C=CC(COC)C=C1.
What is the InChIKey of 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene?
The InChIKey is IMADEVKBUFDOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8-3-5-9(6-4-8)7-10-2/h3-6,9H,1,7H2,2H3.
What are the key properties of 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene?
3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene has a molecular weight of 136.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 12596346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).