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

C15H26O — CID 23451448

IUPAC1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CCC(O)(C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C15H26O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h8,10,16H,9H2,1-7H3
InChIKeyWZSYKGHOYGNHKS-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds

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

1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 23451448) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID23451448
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CCC(O)(C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C15H26O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h8,10,16H,9H2,1-7H3
InChIKeyWZSYKGHOYGNHKS-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol (CID 23451448) is 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol is CC1=CCC(O)(C(C)(C)C)C(C(C)(C)C)=C1.
What is the InChIKey of 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is WZSYKGHOYGNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h8,10,16H,9H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23451448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).