ditert-butyl benzene-1,4-dicarboxylate;hydrazine

C16H26N2O4 — CID 70440346

IUPACditert-butyl benzene-1,4-dicarboxylate;hydrazine
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1.NN
InChIInChI=1S/C16H22O4.H4N2/c1-15(2,3)19-13(17)11-7-9-12(10-8-11)14(18)20-16(4,5)6;1-2/h7-10H,1-6H3;1-2H2
InChIKeyJRZRUXJAILDLON-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.42
Rot. Bonds2

About ditert-butyl benzene-1,4-dicarboxylate;hydrazine

ditert-butyl benzene-1,4-dicarboxylate;hydrazine (PubChem CID 70440346) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is ditert-butyl benzene-1,4-dicarboxylate;hydrazine.

Molecular Properties

Compound Nameditert-butyl benzene-1,4-dicarboxylate;hydrazine
PubChem CID70440346
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nameditert-butyl benzene-1,4-dicarboxylate;hydrazine
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1.NN
InChIInChI=1S/C16H22O4.H4N2/c1-15(2,3)19-13(17)11-7-9-12(10-8-11)14(18)20-16(4,5)6;1-2/h7-10H,1-6H3;1-2H2
InChIKeyJRZRUXJAILDLON-UHFFFAOYSA-N
XLogP2.42
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

tert-butyl 4-[amino(dihydroxy)methyl]benzoate
CID 144609982
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
CID 162139404
CID 162139404
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
tert-butyl 4-(hydroxycarbamoyl)benzoate
CID 164566523
tert-butyl 4-(4-acetylphenyl)benzoate
CID 143956110
tert-butyl 4-(dimethylcarbamoyl)benzoate
CID 138647687
tert-butyl 4-[(1R)-1-aminoethyl]benzoate;hydrochloride
CID 67395949
tert-butyl 4-isocyanobenzoate
CID 91619162
tert-butyl 4-(1-bromoethyl)benzoate
CID 67484052
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118

Frequently Asked Questions

What is the IUPAC name of ditert-butyl benzene-1,4-dicarboxylate;hydrazine?
The IUPAC name of ditert-butyl benzene-1,4-dicarboxylate;hydrazine (CID 70440346) is ditert-butyl benzene-1,4-dicarboxylate;hydrazine.
What is the SMILES notation for ditert-butyl benzene-1,4-dicarboxylate;hydrazine?
The canonical SMILES for ditert-butyl benzene-1,4-dicarboxylate;hydrazine is CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1.NN.
What is the InChIKey of ditert-butyl benzene-1,4-dicarboxylate;hydrazine?
The InChIKey is JRZRUXJAILDLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.H4N2/c1-15(2,3)19-13(17)11-7-9-12(10-8-11)14(18)20-16(4,5)6;1-2/h7-10H,1-6H3;1-2H2.
What are the key properties of ditert-butyl benzene-1,4-dicarboxylate;hydrazine?
ditert-butyl benzene-1,4-dicarboxylate;hydrazine has a molecular weight of 310.39 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl benzene-1,4-dicarboxylate;hydrazine is sourced from PubChem (CID 70440346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).