2,6-ditert-butyl-4-pent-4-enylphenol

C19H30O — CID 22463031

IUPAC2,6-ditert-butyl-4-pent-4-enylphenol
SMILESC=CCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-8-9-10-11-14-12-15(18(2,3)4)17(20)16(13-14)19(5,6)7/h8,12-13,20H,1,9-11H2,2-7H3
InChIKeyJIPIKOTXLJVROU-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.50
Rot. Bonds4

About 2,6-ditert-butyl-4-pent-4-enylphenol

2,6-ditert-butyl-4-pent-4-enylphenol (PubChem CID 22463031) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-pent-4-enylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-pent-4-enylphenol
PubChem CID22463031
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2,6-ditert-butyl-4-pent-4-enylphenol
SMILESC=CCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-8-9-10-11-14-12-15(18(2,3)4)17(20)16(13-14)19(5,6)7/h8,12-13,20H,1,9-11H2,2-7H3
InChIKeyJIPIKOTXLJVROU-UHFFFAOYSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2,6-ditert-butylphenol
CID 158079570
4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl prop-2-enoate
CID 545786
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
2,6-ditert-butyl-4-(3-ethylsulfanylpropyl)phenol
CID 12006674
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
3-chloroprop-1-ene;2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
CID 90659435
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol
CID 118002642
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-pent-4-enylphenol?
The IUPAC name of 2,6-ditert-butyl-4-pent-4-enylphenol (CID 22463031) is 2,6-ditert-butyl-4-pent-4-enylphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-pent-4-enylphenol?
The canonical SMILES for 2,6-ditert-butyl-4-pent-4-enylphenol is C=CCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-pent-4-enylphenol?
The InChIKey is JIPIKOTXLJVROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-8-9-10-11-14-12-15(18(2,3)4)17(20)16(13-14)19(5,6)7/h8,12-13,20H,1,9-11H2,2-7H3.
What are the key properties of 2,6-ditert-butyl-4-pent-4-enylphenol?
2,6-ditert-butyl-4-pent-4-enylphenol has a molecular weight of 274.45 g/mol, XLogP of 5.50, 4 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-pent-4-enylphenol is sourced from PubChem (CID 22463031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).