5,6-dimethoxy-5-methylcyclohexa-1,3-diene

C9H14O2 — CID 67729139

IUPAC5,6-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1C=CC=CC1(C)OC
InChIInChI=1S/C9H14O2/c1-9(11-3)7-5-4-6-8(9)10-2/h4-8H,1-3H3
InChIKeyZEDXSBOYIPJYKP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.53
Rot. Bonds2

About 5,6-dimethoxy-5-methylcyclohexa-1,3-diene

5,6-dimethoxy-5-methylcyclohexa-1,3-diene (PubChem CID 67729139) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5,6-dimethoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dimethoxy-5-methylcyclohexa-1,3-diene
PubChem CID67729139
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5,6-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1C=CC=CC1(C)OC
InChIInChI=1S/C9H14O2/c1-9(11-3)7-5-4-6-8(9)10-2/h4-8H,1-3H3
InChIKeyZEDXSBOYIPJYKP-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, dihydro-4-allyl-1,2-dimethoxy-
CID 3053286
6-Methoxy-1-methyl-4-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 67546070
5,6,6-Trimethoxy-2-prop-2-enylcyclohexa-1,3-diene
CID 163192813
5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
1-Methoxystyrene
CID 19872226
1,2-Epoxy-1-phenylpropene
CID 129868731
5-Fluoro-5,6-dimethoxycyclohexa-1,3-diene
CID 19777442
5-Fluoro-5-(2-methoxyethoxy)cyclohexa-1,3-diene
CID 67174967
5-Ethenyl-5-fluoro-6-methoxycyclohexa-1,3-diene
CID 142788318
2-Fluoro-6-methoxy-5-methylcyclohexa-1,3-diene
CID 142806299
5-Ethoxy-2-fluoro-5-methylcyclohexa-1,3-diene
CID 143119736
1,3-Cyclohexadiene, 5,6-dimethoxy-, trans--
CID 554413

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dimethoxy-5-methylcyclohexa-1,3-diene (CID 67729139) is 5,6-dimethoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dimethoxy-5-methylcyclohexa-1,3-diene is COC1C=CC=CC1(C)OC.
What is the InChIKey of 5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is ZEDXSBOYIPJYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(11-3)7-5-4-6-8(9)10-2/h4-8H,1-3H3.
What are the key properties of 5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
5,6-dimethoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 154.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 67729139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).