4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol

C15H26O — CID 69471796

IUPAC4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)C1=CC=C(O)C(C)(C(C)(C)C)C1
InChIInChI=1S/C15H26O/c1-13(2,3)11-8-9-12(16)15(7,10-11)14(4,5)6/h8-9,16H,10H2,1-7H3
InChIKeyMBOHKEXXDOWLDA-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.86
Rot. Bonds

About 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol

4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 69471796) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID69471796
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)C1=CC=C(O)C(C)(C(C)(C)C)C1
InChIInChI=1S/C15H26O/c1-13(2,3)11-8-9-12(16)15(7,10-11)14(4,5)6/h8-9,16H,10H2,1-7H3
InChIKeyMBOHKEXXDOWLDA-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol (CID 69471796) is 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol is CC(C)(C)C1=CC=C(O)C(C)(C(C)(C)C)C1.
What is the InChIKey of 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is MBOHKEXXDOWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2,3)11-8-9-12(16)15(7,10-11)14(4,5)6/h8-9,16H,10H2,1-7H3.
What are the key properties of 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol?
4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 69471796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).