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

C12H20O — CID 67421653

IUPAC4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)C1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C12H20O/c1-11(2,3)9-6-7-10(13)12(4,5)8-9/h6-7,13H,8H2,1-5H3
InChIKeyYGYAIQVCAQYTBH-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.83
Rot. Bonds

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

4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 67421653) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID67421653
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)C1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C12H20O/c1-11(2,3)9-6-7-10(13)12(4,5)8-9/h6-7,13H,8H2,1-5H3
InChIKeyYGYAIQVCAQYTBH-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol (CID 67421653) is 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol is CC(C)(C)C1=CC=C(O)C(C)(C)C1.
What is the InChIKey of 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is YGYAIQVCAQYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-11(2,3)9-6-7-10(13)12(4,5)8-9/h6-7,13H,8H2,1-5H3.
What are the key properties of 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol?
4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67421653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).