2,6-ditert-butyl-4-dodecan-2-ylphenol

C26H46O — CID 88842140

IUPAC2,6-ditert-butyl-4-dodecan-2-ylphenol
SMILESCCCCCCCCCCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H46O/c1-9-10-11-12-13-14-15-16-17-20(2)21-18-22(25(3,4)5)24(27)23(19-21)26(6,7)8/h18-20,27H,9-17H2,1-8H3
InChIKeyYFFBORMVWVLYQU-UHFFFAOYSA-N
MW374.65 g/mol
LogP8.62
Rot. Bonds10

About 2,6-ditert-butyl-4-dodecan-2-ylphenol

2,6-ditert-butyl-4-dodecan-2-ylphenol (PubChem CID 88842140) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-dodecan-2-ylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-dodecan-2-ylphenol
PubChem CID88842140
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Name2,6-ditert-butyl-4-dodecan-2-ylphenol
SMILESCCCCCCCCCCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H46O/c1-9-10-11-12-13-14-15-16-17-20(2)21-18-22(25(3,4)5)24(27)23(19-21)26(6,7)8/h18-20,27H,9-17H2,1-8H3
InChIKeyYFFBORMVWVLYQU-UHFFFAOYSA-N
XLogP8.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-2-(2-tert-butyl-6-hydroxy-4-octan-2-ylphenyl)-5-octan-2-ylphenol
CID 67350997
2-(3,5-ditert-butyl-4-hydroxyphenyl)dodecanoic acid
CID 21422892
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)octyl]-6-propan-2-ylphenol
CID 139968357
5-nonan-2-ylbenzene-1,3-diol
CID 15347172
3,5-ditert-butyl-4-hydroxy-2-octadecan-2-ylbenzoic acid
CID 174750535
2,6-ditert-butyl-4-(1-sulfanylpentyl)phenol
CID 174704090
heptyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87087566
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-ethylnonadecanoic acid
CID 57189094
(3,5-ditert-butyl-4-hydroxyphenyl) 2-ethyloctanoate
CID 175259440
2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
CID 18961291
octadecyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)hexanoate
CID 88663662

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-dodecan-2-ylphenol?
The IUPAC name of 2,6-ditert-butyl-4-dodecan-2-ylphenol (CID 88842140) is 2,6-ditert-butyl-4-dodecan-2-ylphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-dodecan-2-ylphenol?
The canonical SMILES for 2,6-ditert-butyl-4-dodecan-2-ylphenol is CCCCCCCCCCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-dodecan-2-ylphenol?
The InChIKey is YFFBORMVWVLYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O/c1-9-10-11-12-13-14-15-16-17-20(2)21-18-22(25(3,4)5)24(27)23(19-21)26(6,7)8/h18-20,27H,9-17H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-dodecan-2-ylphenol?
2,6-ditert-butyl-4-dodecan-2-ylphenol has a molecular weight of 374.65 g/mol, XLogP of 8.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-dodecan-2-ylphenol is sourced from PubChem (CID 88842140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).