2,6-ditert-butylphenol;hydrazine;hydrate

C14H28N2O2 — CID 174824895

IUPAC2,6-ditert-butylphenol;hydrazine;hydrate
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.NN.O
InChIInChI=1S/C14H22O.H4N2.H2O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2;/h7-9,15H,1-6H3;1-2H2;1H2
InChIKeyMSHLLMVNPSNQNM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.98
Rot. Bonds

About 2,6-ditert-butylphenol;hydrazine;hydrate

2,6-ditert-butylphenol;hydrazine;hydrate (PubChem CID 174824895) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,6-ditert-butylphenol;hydrazine;hydrate.

Molecular Properties

Compound Name2,6-ditert-butylphenol;hydrazine;hydrate
PubChem CID174824895
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,6-ditert-butylphenol;hydrazine;hydrate
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.NN.O
InChIInChI=1S/C14H22O.H4N2.H2O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2;/h7-9,15H,1-6H3;1-2H2;1H2
InChIKeyMSHLLMVNPSNQNM-UHFFFAOYSA-N
XLogP1.98
TPSA103.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

CID 11225844
CID 11225844
2-tert-butyl-6-methylphenol
CID 16678
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
2-tert-butyl-6-methylphenol;methane
CID 159779150
alumanyloxy(methyl)alumane;2,6-ditert-butylphenol
CID 173269586
bis(2,6-ditert-butylphenol);methanidylbenzene;zirconium(2+)
CID 134902480
2,6-ditert-butylphenol;2-methylpropanedioic acid
CID 158945163
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
CID 23082358
2-tert-butyl-6-ditert-butylphosphanylphenol
CID 138583672
bis(2-tert-butyl-6-methylphenol);dichlorotitanium
CID 15872809
2,6-ditert-butylphenol;methyl propanoate
CID 174866169
2-tert-butyl-6-cyclopropylphenol
CID 139975684

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylphenol;hydrazine;hydrate?
The IUPAC name of 2,6-ditert-butylphenol;hydrazine;hydrate (CID 174824895) is 2,6-ditert-butylphenol;hydrazine;hydrate.
What is the SMILES notation for 2,6-ditert-butylphenol;hydrazine;hydrate?
The canonical SMILES for 2,6-ditert-butylphenol;hydrazine;hydrate is CC(C)(C)c1cccc(C(C)(C)C)c1O.NN.O.
What is the InChIKey of 2,6-ditert-butylphenol;hydrazine;hydrate?
The InChIKey is MSHLLMVNPSNQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.H4N2.H2O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2;/h7-9,15H,1-6H3;1-2H2;1H2.
What are the key properties of 2,6-ditert-butylphenol;hydrazine;hydrate?
2,6-ditert-butylphenol;hydrazine;hydrate has a molecular weight of 256.39 g/mol, XLogP of 1.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylphenol;hydrazine;hydrate is sourced from PubChem (CID 174824895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).