1,2-dimethoxy-6-methylcyclohexa-1,3-diene

C9H14O2 — CID 19612221

IUPAC1,2-dimethoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=C(OC)C(C)CC=C1
InChIInChI=1S/C9H14O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4,6-7H,5H2,1-3H3
InChIKeyAFRBYSNJUOHXCU-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.09
Rot. Bonds2

About 1,2-dimethoxy-6-methylcyclohexa-1,3-diene

1,2-dimethoxy-6-methylcyclohexa-1,3-diene (PubChem CID 19612221) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,2-dimethoxy-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-dimethoxy-6-methylcyclohexa-1,3-diene
PubChem CID19612221
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1,2-dimethoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=C(OC)C(C)CC=C1
InChIInChI=1S/C9H14O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4,6-7H,5H2,1-3H3
InChIKeyAFRBYSNJUOHXCU-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-6-methylcyclohexa-1,3-diene?
The IUPAC name of 1,2-dimethoxy-6-methylcyclohexa-1,3-diene (CID 19612221) is 1,2-dimethoxy-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2-dimethoxy-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,2-dimethoxy-6-methylcyclohexa-1,3-diene is COC1=C(OC)C(C)CC=C1.
What is the InChIKey of 1,2-dimethoxy-6-methylcyclohexa-1,3-diene?
The InChIKey is AFRBYSNJUOHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4,6-7H,5H2,1-3H3.
What are the key properties of 1,2-dimethoxy-6-methylcyclohexa-1,3-diene?
1,2-dimethoxy-6-methylcyclohexa-1,3-diene has a molecular weight of 154.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 19612221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).