2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene

C10H16O2 — CID 91438188

IUPAC2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C(OC)CC(C)=C1
InChIInChI=1S/C10H16O2/c1-7-5-9(11-3)8(2)10(6-7)12-4/h5,10H,6H2,1-4H3
InChIKeyAXAYBGLJHUGMFJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds2

About 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene

2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene (PubChem CID 91438188) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene
PubChem CID91438188
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C(OC)CC(C)=C1
InChIInChI=1S/C10H16O2/c1-7-5-9(11-3)8(2)10(6-7)12-4/h5,10H,6H2,1-4H3
InChIKeyAXAYBGLJHUGMFJ-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene (CID 91438188) is 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene is COC1=C(C)C(OC)CC(C)=C1.
What is the InChIKey of 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene?
The InChIKey is AXAYBGLJHUGMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-9(11-3)8(2)10(6-7)12-4/h5,10H,6H2,1-4H3.
What are the key properties of 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene?
2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene has a molecular weight of 168.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 91438188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).