3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol

C32H58O — CID 57324525

IUPAC3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol
SMILESCCCCCC(CCCC)(CCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1CCCC
InChIInChI=1S/C32H58O/c1-11-15-19-23-32(21-17-13-3,22-18-14-4)26-24-27(30(5,6)7)29(33)28(31(8,9)10)25(26)20-16-12-2/h24,33H,11-23H2,1-10H3
InChIKeyKGWSTQGYCXVMIN-UHFFFAOYSA-N
MW458.82 g/mol
LogP10.53
Rot. Bonds14

About 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol

3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol (PubChem CID 57324525) has the molecular formula C32H58O and a molecular weight of 458.82 g/mol. Its IUPAC name is 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol.

Molecular Properties

Compound Name3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol
PubChem CID57324525
Molecular FormulaC32H58O
Molecular Weight458.82 g/mol
Exact Mass458.45
IUPAC Name3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol
SMILESCCCCCC(CCCC)(CCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1CCCC
InChIInChI=1S/C32H58O/c1-11-15-19-23-32(21-17-13-3,22-18-14-4)26-24-27(30(5,6)7)29(33)28(31(8,9)10)25(26)20-16-12-2/h24,33H,11-23H2,1-10H3
InChIKeyKGWSTQGYCXVMIN-UHFFFAOYSA-N
XLogP10.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.82
LogP ≤ 510.53
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

bis((2-butyl-3,5-ditert-butyl-4-hydroxyphenyl)methylphosphonic acid);nickel
CID 88782473
(3,5-ditert-butyl-2-hexyl-4-hydroxyphenyl)methylphosphonic acid
CID 20506876
2,6-ditert-butyl-4-[[2,4,6-tributyl-3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 137459723
chromium(6+);tris(2,6-ditert-butyl-3-hexyl-4-(phosphonatomethyl)phenol)
CID 173427631
4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-2-yl]phenol
CID 139825010
2-(3-aminopropyl)-3,5-ditert-butylbenzene-1,4-diol
CID 71488404
6-tert-butyl-3-methyl-2,4-dioctylphenol
CID 139902763
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
2-butyl-2-ethyl-1-(2,4,6-tritert-butyl-3-hydroxyphenyl)propane-1,3-diol
CID 87080241

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol?
The IUPAC name of 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol (CID 57324525) is 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol.
What is the SMILES notation for 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol?
The canonical SMILES for 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol is CCCCCC(CCCC)(CCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1CCCC.
What is the InChIKey of 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol?
The InChIKey is KGWSTQGYCXVMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O/c1-11-15-19-23-32(21-17-13-3,22-18-14-4)26-24-27(30(5,6)7)29(33)28(31(8,9)10)25(26)20-16-12-2/h24,33H,11-23H2,1-10H3.
What are the key properties of 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol?
3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol has a molecular weight of 458.82 g/mol, XLogP of 10.53, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,6-ditert-butyl-4-(5-butyldecan-5-yl)phenol is sourced from PubChem (CID 57324525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).