2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol

C16H28O — CID 23071630

IUPAC2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol
SMILESCC1(C)C=C(C(C)(C)C)C(O)C(C(C)(C)C)=C1
InChIInChI=1S/C16H28O/c1-14(2,3)11-9-16(7,8)10-12(13(11)17)15(4,5)6/h9-10,13,17H,1-8H3
InChIKeyOZBRSZHWMXZTMW-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.33
Rot. Bonds

About 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol

2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol (PubChem CID 23071630) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol
PubChem CID23071630
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol
SMILESCC1(C)C=C(C(C)(C)C)C(O)C(C(C)(C)C)=C1
InChIInChI=1S/C16H28O/c1-14(2,3)11-9-16(7,8)10-12(13(11)17)15(4,5)6/h9-10,13,17H,1-8H3
InChIKeyOZBRSZHWMXZTMW-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol (CID 23071630) is 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol is CC1(C)C=C(C(C)(C)C)C(O)C(C(C)(C)C)=C1.
What is the InChIKey of 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol?
The InChIKey is OZBRSZHWMXZTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-14(2,3)11-9-16(7,8)10-12(13(11)17)15(4,5)6/h9-10,13,17H,1-8H3.
What are the key properties of 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol?
2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.33, 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-4,4-dimethylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 23071630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).