6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol

C12H20O — CID 23160401

IUPAC6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)(C(C)(C)C)C=C1
InChIInChI=1S/C12H20O/c1-9-6-7-12(5,10(13)8-9)11(2,3)4/h6-8,10,13H,1-5H3
InChIKeyVAZCVJKKDULUCQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.92
Rot. Bonds

About 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol

6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 23160401) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID23160401
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)(C(C)(C)C)C=C1
InChIInChI=1S/C12H20O/c1-9-6-7-12(5,10(13)8-9)11(2,3)4/h6-8,10,13H,1-5H3
InChIKeyVAZCVJKKDULUCQ-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol (CID 23160401) is 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC(O)C(C)(C(C)(C)C)C=C1.
What is the InChIKey of 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is VAZCVJKKDULUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-6-7-12(5,10(13)8-9)11(2,3)4/h6-8,10,13H,1-5H3.
What are the key properties of 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol?
6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23160401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).