2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol

C11H18O3 — CID 22757031

IUPAC2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCOC1=C(C)C(C)=CC(C)(OC)C1O
InChIInChI=1S/C11H18O3/c1-7-6-11(3,14-5)10(12)9(13-4)8(7)2/h6,10,12H,1-5H3
InChIKeyJFRBHNZQLNVWDJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.63
Rot. Bonds2

About 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol

2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol (PubChem CID 22757031) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol
PubChem CID22757031
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCOC1=C(C)C(C)=CC(C)(OC)C1O
InChIInChI=1S/C11H18O3/c1-7-6-11(3,14-5)10(12)9(13-4)8(7)2/h6,10,12H,1-5H3
InChIKeyJFRBHNZQLNVWDJ-UHFFFAOYSA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol (CID 22757031) is 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol is COC1=C(C)C(C)=CC(C)(OC)C1O.
What is the InChIKey of 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is JFRBHNZQLNVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7-6-11(3,14-5)10(12)9(13-4)8(7)2/h6,10,12H,1-5H3.
What are the key properties of 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol?
2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22757031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).