2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol

C15H28O — CID 71163082

IUPAC2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol
SMILESCC1C=C(C(C)(C)C)C(O)C(C(C)(C)C)C1
InChIInChI=1S/C15H28O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8,10,12-13,16H,9H2,1-7H3
InChIKeyMNPITJZCQOYSLW-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.02
Rot. Bonds

About 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol

2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol (PubChem CID 71163082) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol
PubChem CID71163082
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol
SMILESCC1C=C(C(C)(C)C)C(O)C(C(C)(C)C)C1
InChIInChI=1S/C15H28O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8,10,12-13,16H,9H2,1-7H3
InChIKeyMNPITJZCQOYSLW-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.02
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-methylcyclohex-2-en-1-ol?
The IUPAC name of 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol (CID 71163082) is 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol?
The canonical SMILES for 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol is CC1C=C(C(C)(C)C)C(O)C(C(C)(C)C)C1.
What is the InChIKey of 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol?
The InChIKey is MNPITJZCQOYSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8,10,12-13,16H,9H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol?
2,6-ditert-butyl-4-methylcyclohex-2-en-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.02, 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-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 71163082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).