bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine

C34H60N2O2 — CID 174939437

IUPACbis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
SMILESCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.NN
InChIInChI=1S/2C17H28O.H4N2/c2*1-11(2)13-9-12(16(3,4)5)10-14(15(13)18)17(6,7)8;1-2/h2*9-11,18H,1-8H3;1-2H2
InChIKeyGPONTPKPIMCFKB-UHFFFAOYSA-N
MW528.87 g/mol
LogP9.04
Rot. Bonds2

About bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine

bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine (PubChem CID 174939437) has the molecular formula C34H60N2O2 and a molecular weight of 528.87 g/mol. Its IUPAC name is bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine.

Molecular Properties

Compound Namebis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
PubChem CID174939437
Molecular FormulaC34H60N2O2
Molecular Weight528.87 g/mol
Exact Mass528.47
IUPAC Namebis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
SMILESCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.NN
InChIInChI=1S/2C17H28O.H4N2/c2*1-11(2)13-9-12(16(3,4)5)10-14(15(13)18)17(6,7)8;1-2/h2*9-11,18H,1-8H3;1-2H2
InChIKeyGPONTPKPIMCFKB-UHFFFAOYSA-N
XLogP9.04
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.87
LogP ≤ 59.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247002
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-ditert-butylphenol
CID 171261580
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247011
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
2-[(1S)-1-amino-4-methylpentyl]-4,6-ditert-butylphenol;hydrochloride
CID 171221472
2-[[4-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenyl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 102598730
2-[(1S)-1-amino-2-fluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201880
2-(3,5-ditert-butyl-2-hydroxyphenyl)propanedinitrile
CID 13414640
2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol
CID 130231528
methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate
CID 171221473
2-[(R)-amino(cyclopropyl)methyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201914
2-(1-amino-3-hydroxypropyl)-4,6-ditert-butylphenol;hydrochloride
CID 170874618

Frequently Asked Questions

What is the IUPAC name of bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine?
The IUPAC name of bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine (CID 174939437) is bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine.
What is the SMILES notation for bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine?
The canonical SMILES for bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine is CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.NN.
What is the InChIKey of bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine?
The InChIKey is GPONTPKPIMCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H28O.H4N2/c2*1-11(2)13-9-12(16(3,4)5)10-14(15(13)18)17(6,7)8;1-2/h2*9-11,18H,1-8H3;1-2H2.
What are the key properties of bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine?
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine has a molecular weight of 528.87 g/mol, XLogP of 9.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine is sourced from PubChem (CID 174939437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).