2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol

C28H50O — CID 18961291

IUPAC2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
SMILESCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C(C)CC)c1O
InChIInChI=1S/C28H50O/c1-8-10-11-12-13-14-15-16-17-18-19-23(4)26-21-24(28(5,6)7)20-25(27(26)29)22(3)9-2/h20-23,29H,8-19H2,1-7H3
InChIKeyLILXBLBTHDLXOW-UHFFFAOYSA-N
MW402.71 g/mol
LogP9.62
Rot. Bonds14

About 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol

2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol (PubChem CID 18961291) has the molecular formula C28H50O and a molecular weight of 402.71 g/mol. Its IUPAC name is 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol.

Molecular Properties

Compound Name2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
PubChem CID18961291
Molecular FormulaC28H50O
Molecular Weight402.71 g/mol
Exact Mass402.39
IUPAC Name2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
SMILESCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C(C)CC)c1O
InChIInChI=1S/C28H50O/c1-8-10-11-12-13-14-15-16-17-18-19-23(4)26-21-24(28(5,6)7)20-25(27(26)29)22(3)9-2/h20-23,29H,8-19H2,1-7H3
InChIKeyLILXBLBTHDLXOW-UHFFFAOYSA-N
XLogP9.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.71
LogP ≤ 59.62
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

4-tert-butyl-2-octadecan-2-yl-6-(1-phenylethyl)phenol
CID 18961297
4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol
CID 18961339
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
CID 124635312
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
2,6-di(butan-2-yl)-4-butylphenol
CID 66619822
2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 18961281
2-hexan-2-yl-4,6-di(propan-2-yl)phenol
CID 154085005
3-undecan-2-ylbenzene-1,2-diol
CID 139758320
2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid
CID 22256255

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol?
The IUPAC name of 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol (CID 18961291) is 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol.
What is the SMILES notation for 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol?
The canonical SMILES for 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol is CCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C(C)CC)c1O.
What is the InChIKey of 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol?
The InChIKey is LILXBLBTHDLXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O/c1-8-10-11-12-13-14-15-16-17-18-19-23(4)26-21-24(28(5,6)7)20-25(27(26)29)22(3)9-2/h20-23,29H,8-19H2,1-7H3.
What are the key properties of 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol?
2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol has a molecular weight of 402.71 g/mol, XLogP of 9.62, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol is sourced from PubChem (CID 18961291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).