4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol

C15H26O — CID 21421535

IUPAC4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC(C)(C(C)(C)C)C(O)C=C1
InChIInChI=1S/C15H26O/c1-13(2,3)11-8-9-12(16)15(7,10-11)14(4,5)6/h8-10,12,16H,1-7H3
InChIKeyBEXREUOLAWKBPD-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds

About 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol

4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 21421535) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID21421535
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC(C)(C(C)(C)C)C(O)C=C1
InChIInChI=1S/C15H26O/c1-13(2,3)11-8-9-12(16)15(7,10-11)14(4,5)6/h8-10,12,16H,1-7H3
InChIKeyBEXREUOLAWKBPD-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-2,4-dien-1-ol?
The IUPAC name of 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol (CID 21421535) is 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol is CC(C)(C)C1=CC(C)(C(C)(C)C)C(O)C=C1.
What is the InChIKey of 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is BEXREUOLAWKBPD-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/h8-10,12,16H,1-7H3.
What are the key properties of 4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol?
4,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 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-2,4-dien-1-ol is sourced from PubChem (CID 21421535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).