methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium

C12H19NO3 — CID 21288590

IUPACmethyl carbonate;2-(2-methylphenyl)propan-2-ylazanium
SMILESCOC(=O)[O-].Cc1ccccc1C(C)(C)[NH3+]
InChIInChI=1S/C10H15N.C2H4O3/c1-8-6-4-5-7-9(8)10(2,3)11;1-5-2(3)4/h4-7H,11H2,1-3H3;1H3,(H,3,4)
InChIKeyKYXHEBMTSWYPQF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.45
Rot. Bonds1

About methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium

methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium (PubChem CID 21288590) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium.

Molecular Properties

Compound Namemethyl carbonate;2-(2-methylphenyl)propan-2-ylazanium
PubChem CID21288590
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl carbonate;2-(2-methylphenyl)propan-2-ylazanium
SMILESCOC(=O)[O-].Cc1ccccc1C(C)(C)[NH3+]
InChIInChI=1S/C10H15N.C2H4O3/c1-8-6-4-5-7-9(8)10(2,3)11;1-5-2(3)4/h4-7H,11H2,1-3H3;1H3,(H,3,4)
InChIKeyKYXHEBMTSWYPQF-UHFFFAOYSA-N
XLogP0.45
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium?
The IUPAC name of methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium (CID 21288590) is methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium.
What is the SMILES notation for methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium?
The canonical SMILES for methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium is COC(=O)[O-].Cc1ccccc1C(C)(C)[NH3+].
What is the InChIKey of methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium?
The InChIKey is KYXHEBMTSWYPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H4O3/c1-8-6-4-5-7-9(8)10(2,3)11;1-5-2(3)4/h4-7H,11H2,1-3H3;1H3,(H,3,4).
What are the key properties of methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium?
methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium has a molecular weight of 225.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium is sourced from PubChem (CID 21288590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).