deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium

C8H18NO2+ — CID 158402875

IUPACdeuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium
SMILESC=C(C)C(=O)OC[N+](C)(C)C.[H][2H]
InChIInChI=1S/C8H16NO2.H2/c1-7(2)8(10)11-6-9(3,4)5;/h1,6H2,2-5H3;1H/q+1;/i;1+1
InChIKeyGYHWZOMRMKDMPI-IEOVAKBOSA-N
MW161.24 g/mol
LogP1.02
Rot. Bonds3

About deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium

deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium (PubChem CID 158402875) has the molecular formula C8H18NO2+ and a molecular weight of 161.24 g/mol. Its IUPAC name is deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium.

Molecular Properties

Compound Namedeuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium
PubChem CID158402875
Molecular FormulaC8H18NO2+
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Namedeuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium
SMILESC=C(C)C(=O)OC[N+](C)(C)C.[H][2H]
InChIInChI=1S/C8H16NO2.H2/c1-7(2)8(10)11-6-9(3,4)5;/h1,6H2,2-5H3;1H/q+1;/i;1+1
InChIKeyGYHWZOMRMKDMPI-IEOVAKBOSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylprop-2-enoyloxymethyl (trimethylazaniumyl)methyl phosphate
CID 22947974
(2-hydroperoxy-2-oxoacetyl)oxymethyl-trimethylazanium
CID 141434468
3-aminopropyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium chloride
CID 161460095
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
ethyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium;prop-2-enamide;chloride
CID 162083894
dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride
CID 139894451
[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl]-trimethylazanium bromide
CID 140876303

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium?
The IUPAC name of deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium (CID 158402875) is deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium.
What is the SMILES notation for deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium?
The canonical SMILES for deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium is C=C(C)C(=O)OC[N+](C)(C)C.[H][2H].
What is the InChIKey of deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium?
The InChIKey is GYHWZOMRMKDMPI-IEOVAKBOSA-N. The full InChI is InChI=1S/C8H16NO2.H2/c1-7(2)8(10)11-6-9(3,4)5;/h1,6H2,2-5H3;1H/q+1;/i;1+1.
What are the key properties of deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium?
deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium has a molecular weight of 161.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;trimethyl(2-methylprop-2-enoyloxymethyl)azanium is sourced from PubChem (CID 158402875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).