6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol

C12H20O3 — CID 154928153

IUPAC6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(OC)(C(C)(C)C)C1O
InChIInChI=1S/C12H20O3/c1-11(2,3)12(15-5)8-6-7-9(14-4)10(12)13/h6-8,10,13H,1-5H3
InChIKeyRYHMIZOQOZOHDX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds2

About 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol

6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol (PubChem CID 154928153) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol
PubChem CID154928153
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(OC)(C(C)(C)C)C1O
InChIInChI=1S/C12H20O3/c1-11(2,3)12(15-5)8-6-7-9(14-4)10(12)13/h6-8,10,13H,1-5H3
InChIKeyRYHMIZOQOZOHDX-UHFFFAOYSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol (CID 154928153) is 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol is COC1=CC=CC(OC)(C(C)(C)C)C1O.
What is the InChIKey of 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
The InChIKey is RYHMIZOQOZOHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(2,3)12(15-5)8-6-7-9(14-4)10(12)13/h6-8,10,13H,1-5H3.
What are the key properties of 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,6-dimethoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154928153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).