tetratert-butylazanium acetate

C18H39NO2 — CID 71332206

IUPACtetratert-butylazanium acetate
SMILESCC(=O)[O-].CC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36N.C2H4O2/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12;1-2(3)4/h1-12H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyYPQUVKCGZIMUPW-UHFFFAOYSA-M
MW301.52 g/mol
LogP3.75
Rot. Bonds

About tetratert-butylazanium acetate

tetratert-butylazanium acetate (PubChem CID 71332206) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is tetratert-butylazanium acetate.

Molecular Properties

Compound Nametetratert-butylazanium acetate
PubChem CID71332206
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Nametetratert-butylazanium acetate
SMILESCC(=O)[O-].CC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36N.C2H4O2/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12;1-2(3)4/h1-12H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyYPQUVKCGZIMUPW-UHFFFAOYSA-M
XLogP3.75
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tricalcium diacetate
CID 19804487
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
bis(cobalt(2+));tetraacetate
CID 157121376
CID 170997571
CID 170997571
tris(barium(2+)) diacetate
CID 19804496
nonasodium;nonaacetate
CID 173443222
uranium(4+) tetraacetate
CID 51035191
CID 87243144
CID 87243144

Frequently Asked Questions

What is the IUPAC name of tetratert-butylazanium acetate?
The IUPAC name of tetratert-butylazanium acetate (CID 71332206) is tetratert-butylazanium acetate.
What is the SMILES notation for tetratert-butylazanium acetate?
The canonical SMILES for tetratert-butylazanium acetate is CC(=O)[O-].CC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tetratert-butylazanium acetate?
The InChIKey is YPQUVKCGZIMUPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C2H4O2/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12;1-2(3)4/h1-12H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of tetratert-butylazanium acetate?
tetratert-butylazanium acetate has a molecular weight of 301.52 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetratert-butylazanium acetate is sourced from PubChem (CID 71332206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).