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

C9H12O — CID 12596345

IUPAC5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1COC
InChIInChI=1S/C9H12O/c1-8-5-3-4-6-9(8)7-10-2/h3-6,9H,1,7H2,2H3
InChIKeyMASGLJHTCDECLM-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.93
Rot. Bonds2

About 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene

5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene (PubChem CID 12596345) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene
PubChem CID12596345
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1COC
InChIInChI=1S/C9H12O/c1-8-5-3-4-6-9(8)7-10-2/h3-6,9H,1,7H2,2H3
InChIKeyMASGLJHTCDECLM-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

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Related Compounds

3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
2-Methoxyethylcyclopentadiene
CID 10896855
5-(2-Methoxyethyl)cyclopenta-1,3-diene
CID 12159223
2-(2-Methoxyethyl)cyclopenta-1,3-diene
CID 15825168
Dihydro cuminyl alcohol
CID 56924101
1,5-Difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 89099264
2-Fluoro-5-(methoxymethyl)cyclohexa-1,3-diene
CID 89270544
5-(Methoxymethyl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89270545
1,3-Difluoro-5-(methoxymethyl)-6-methylcyclohexa-1,3-diene
CID 89951641
5-(Trifluoromethoxymethyl)hepta-1,3-diene
CID 123311257
2-Ethenyl-3-fluoro-5-(2-methoxyethyl)cyclohepta-1,3,5-triene
CID 129180605
(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene
CID 130308041

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene (CID 12596345) is 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene is C=C1C=CC=CC1COC.
What is the InChIKey of 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene?
The InChIKey is MASGLJHTCDECLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8-5-3-4-6-9(8)7-10-2/h3-6,9H,1,7H2,2H3.
What are the key properties of 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene?
5-(methoxymethyl)-6-methylidenecyclohexa-1,3-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 5-(methoxymethyl)-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 12596345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).