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

C16H28O — CID 67047598

IUPAC2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(C(C)(C)C)=C(O)C(C)(C(C)(C)C)C1
InChIInChI=1S/C16H28O/c1-11-9-12(14(2,3)4)13(17)16(8,10-11)15(5,6)7/h9,17H,10H2,1-8H3
InChIKeyRUELPJGJTPURTQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.25
Rot. Bonds

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

2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 67047598) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID67047598
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(C(C)(C)C)=C(O)C(C)(C(C)(C)C)C1
InChIInChI=1S/C16H28O/c1-11-9-12(14(2,3)4)13(17)16(8,10-11)15(5,6)7/h9,17H,10H2,1-8H3
InChIKeyRUELPJGJTPURTQ-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol with MolForge

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Related Compounds

4-tert-Butylcyclohexanolen
CID 12611406
2-t-Butyl cresol
CID 22372344
2,6-Di-t-butylcresol
CID 66637192
2,6-Diisopropyl cresol
CID 70389744
5,6-Ditert-butyl-5-fluorocyclohexa-1,3-dien-1-ol
CID 117898984
3-(5-Tert-butyl-6-fluorocyclohexa-1,5-dien-1-yl)-2,3-dimethylbutan-2-ol
CID 169813340
4-Tert-butylcyclohexa-1,3-dien-1-ol
CID 20038819
(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-1-ol
CID 14163989
2,6-Di-tert-octylcresol
CID 129678288
4,5-Dimethyl-5,6-dimethyl resorcinol
CID 129733100
lithium (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-olate
CID 134889537
5-[(2S)-butan-2-yl]cyclohexa-1,3-dien-1-ol
CID 147627814

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol (CID 67047598) is 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol is CC1=CC(C(C)(C)C)=C(O)C(C)(C(C)(C)C)C1.
What is the InChIKey of 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is RUELPJGJTPURTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-11-9-12(14(2,3)4)13(17)16(8,10-11)15(5,6)7/h9,17H,10H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol?
2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 236.40 g/mol, XLogP of 5.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4,6-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67047598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).