2,6-ditert-butyl-4-decoxyphenol

C24H42O2 — CID 18417198

IUPAC2,6-ditert-butyl-4-decoxyphenol
SMILESCCCCCCCCCCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-8-9-10-11-12-13-14-15-16-26-19-17-20(23(2,3)4)22(25)21(18-19)24(5,6)7/h17-18,25H,8-16H2,1-7H3
InChIKeyQVKXCBBIWLPDSM-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.51
Rot. Bonds10

About 2,6-ditert-butyl-4-decoxyphenol

2,6-ditert-butyl-4-decoxyphenol (PubChem CID 18417198) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-decoxyphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-decoxyphenol
PubChem CID18417198
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2,6-ditert-butyl-4-decoxyphenol
SMILESCCCCCCCCCCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-8-9-10-11-12-13-14-15-16-26-19-17-20(23(2,3)4)22(25)21(18-19)24(5,6)7/h17-18,25H,8-16H2,1-7H3
InChIKeyQVKXCBBIWLPDSM-UHFFFAOYSA-N
XLogP7.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-tetradecoxyphenol
CID 19014137
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
(3,5-ditert-butyl-4-hydroxyphenyl) octanoate
CID 90808029
4-(3,5-ditert-butyl-4-hydroxyphenoxy)butanenitrile
CID 15027734
heptyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87087566
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-propoxyphenyl)disulfanyl]-4-propoxyphenol
CID 21499216
octadecyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)hexanoate
CID 88663662
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
2-tert-butyl-5-hexoxy-1,3-dimethylbenzene
CID 155766405
3-decoxy-5-methylphenol
CID 107679752
hexyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylbutanoate
CID 174248124

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-decoxyphenol?
The IUPAC name of 2,6-ditert-butyl-4-decoxyphenol (CID 18417198) is 2,6-ditert-butyl-4-decoxyphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-decoxyphenol?
The canonical SMILES for 2,6-ditert-butyl-4-decoxyphenol is CCCCCCCCCCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-decoxyphenol?
The InChIKey is QVKXCBBIWLPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-8-9-10-11-12-13-14-15-16-26-19-17-20(23(2,3)4)22(25)21(18-19)24(5,6)7/h17-18,25H,8-16H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-decoxyphenol?
2,6-ditert-butyl-4-decoxyphenol has a molecular weight of 362.60 g/mol, XLogP of 7.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-decoxyphenol is sourced from PubChem (CID 18417198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).