2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol

C15H26O — CID 66643304

IUPAC2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC(C)(C)C1=C(O)C=CC(C)(C(C)(C)C)C1
InChIInChI=1S/C15H26O/c1-13(2,3)11-10-15(7,14(4,5)6)9-8-12(11)16/h8-9,16H,10H2,1-7H3
InChIKeyXPUJOEOXHUYRPJ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.86
Rot. Bonds

About 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol

2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol (PubChem CID 66643304) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol
PubChem CID66643304
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC(C)(C)C1=C(O)C=CC(C)(C(C)(C)C)C1
InChIInChI=1S/C15H26O/c1-13(2,3)11-10-15(7,14(4,5)6)9-8-12(11)16/h8-9,16H,10H2,1-7H3
InChIKeyXPUJOEOXHUYRPJ-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

1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 6436846
2-Methyl-5-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 13670329
3,8-Dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol
CID 163186211
3-Methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 163189860
3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol
CID 100944
2,6-Di-t-butyl-1-hydroxytoluene
CID 19957770
p-Menthadienol
CID 53249447
p-t-Butyl-p-cresol
CID 67743206
15-Dimethylretinol
CID 19693551
2,4-Ditert-butyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 70400563
2-Methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol
CID 5370159
(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 11820382

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol (CID 66643304) is 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol is CC(C)(C)C1=C(O)C=CC(C)(C(C)(C)C)C1.
What is the InChIKey of 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is XPUJOEOXHUYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2,3)11-10-15(7,14(4,5)6)9-8-12(11)16/h8-9,16H,10H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol?
2,4-ditert-butyl-4-methylcyclohexa-1,5-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 2,4-ditert-butyl-4-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 66643304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).