2-methylbutan-2-ylazanium;methyl carbonate

C7H17NO3 — CID 21288591

IUPAC2-methylbutan-2-ylazanium;methyl carbonate
SMILESCCC(C)(C)[NH3+].COC(=O)[O-]
InChIInChI=1S/C5H13N.C2H4O3/c1-4-5(2,3)6;1-5-2(3)4/h4,6H2,1-3H3;1H3,(H,3,4)
InChIKeyLGSQABCSPXDFCN-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.61
Rot. Bonds1

About 2-methylbutan-2-ylazanium;methyl carbonate

2-methylbutan-2-ylazanium;methyl carbonate (PubChem CID 21288591) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methylbutan-2-ylazanium;methyl carbonate.

Molecular Properties

Compound Name2-methylbutan-2-ylazanium;methyl carbonate
PubChem CID21288591
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-methylbutan-2-ylazanium;methyl carbonate
SMILESCCC(C)(C)[NH3+].COC(=O)[O-]
InChIInChI=1S/C5H13N.C2H4O3/c1-4-5(2,3)6;1-5-2(3)4/h4,6H2,1-3H3;1H3,(H,3,4)
InChIKeyLGSQABCSPXDFCN-UHFFFAOYSA-N
XLogP-0.61
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioate;hydron;2-methylbutan-2-ylazanium
CID 90239573
2-hydroxybutan-2-yl carbonate
CID 18755184
methane;methyl carbonate;molecular iodine
CID 159941890
methyl carbonate;trimethyl(trifluoromethyl)azanium
CID 159323081
methane;methyl 2,2-dimethylbutanoate
CID 161256043
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
methyl 3,3-dimethylpentanoate
CID 3757207
dimethyl butanedioate;2-methylbutan-2-ol
CID 174977208
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
carbanylium;2,2-dimethylbutanoate
CID 157088844
azanium 2,2-dimethylbutanoate
CID 90967382
copper bis(2,2-dimethylbutanoate)
CID 158983078

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ylazanium;methyl carbonate?
The IUPAC name of 2-methylbutan-2-ylazanium;methyl carbonate (CID 21288591) is 2-methylbutan-2-ylazanium;methyl carbonate.
What is the SMILES notation for 2-methylbutan-2-ylazanium;methyl carbonate?
The canonical SMILES for 2-methylbutan-2-ylazanium;methyl carbonate is CCC(C)(C)[NH3+].COC(=O)[O-].
What is the InChIKey of 2-methylbutan-2-ylazanium;methyl carbonate?
The InChIKey is LGSQABCSPXDFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C2H4O3/c1-4-5(2,3)6;1-5-2(3)4/h4,6H2,1-3H3;1H3,(H,3,4).
What are the key properties of 2-methylbutan-2-ylazanium;methyl carbonate?
2-methylbutan-2-ylazanium;methyl carbonate has a molecular weight of 163.22 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ylazanium;methyl carbonate is sourced from PubChem (CID 21288591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).