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

C15H26O — CID 154169989

IUPAC6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(C(C)(C)C)(C(C)(C)C)C(O)=C1
InChIInChI=1S/C15H26O/c1-11-8-9-15(12(16)10-11,13(2,3)4)14(5,6)7/h8,10,16H,9H2,1-7H3
InChIKeyFINGTLKXGLZKGN-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.86
Rot. Bonds

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

6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol (PubChem CID 154169989) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol
PubChem CID154169989
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(C(C)(C)C)(C(C)(C)C)C(O)=C1
InChIInChI=1S/C15H26O/c1-11-8-9-15(12(16)10-11,13(2,3)4)14(5,6)7/h8,10,16H,9H2,1-7H3
InChIKeyFINGTLKXGLZKGN-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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Related Compounds

6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 71307734
6-amino-3,6-dimethylcyclohexa-1,3-diene-1-carboxylic acid
CID 163928155
6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene
CID 143519479
(3-methylcyclohexa-1,3-dien-1-yl)methanol
CID 123140542
6,6-dimethylcyclohexa-1,3-diene-1,3-diol
CID 163590235
1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde
CID 150206567
bis(1-hydroxy-4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 175474190
(1,4-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141041567
1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride
CID 159649254
2,6-dihydroxy-1,4-dimethylcyclohexa-2,4-diene-1-carbaldehyde
CID 131713934
4,5-dimethylcyclohexa-1,5-diene-1,4-diol
CID 154516421
ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
CID 143259643

Frequently Asked Questions

What is the IUPAC name of 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol (CID 154169989) is 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol is CC1=CCC(C(C)(C)C)(C(C)(C)C)C(O)=C1.
What is the InChIKey of 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is FINGTLKXGLZKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-8-9-15(12(16)10-11,13(2,3)4)14(5,6)7/h8,10,16H,9H2,1-7H3.
What are the key properties of 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol?
6,6-ditert-butyl-3-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 6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154169989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).