2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol

C16H26N2O — CID 88941839

IUPAC2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
SMILESCC(C)(C)c1cc(C=C(N)N)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26N2O/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-9,19H,17-18H2,1-6H3
InChIKeyIDIYQRDCBXGMBE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.20
Rot. Bonds1

About 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol

2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol (PubChem CID 88941839) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
PubChem CID88941839
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
SMILESCC(C)(C)c1cc(C=C(N)N)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26N2O/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-9,19H,17-18H2,1-6H3
InChIKeyIDIYQRDCBXGMBE-UHFFFAOYSA-N
XLogP3.20
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 3068706
(E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioamide
CID 135419190
(Z)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 92968609
4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol
CID 136617524
2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135909999
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoic acid
CID 173368528
(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-hydroxybutanoic acid
CID 6448189
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 139466693
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 689095
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol
CID 14838595

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol (CID 88941839) is 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol is CC(C)(C)c1cc(C=C(N)N)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol?
The InChIKey is IDIYQRDCBXGMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-9,19H,17-18H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol?
2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol has a molecular weight of 262.40 g/mol, XLogP of 3.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol is sourced from PubChem (CID 88941839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).