dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride

C15H30ClNO2 — CID 139894451

IUPACdimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride
SMILESC=C(C)C(=O)OC[N+](C)(C)CCCCCCCC.[Cl-]
InChIInChI=1S/C15H30NO2.ClH/c1-6-7-8-9-10-11-12-16(4,5)13-18-15(17)14(2)3;/h2,6-13H2,1,3-5H3;1H/q+1;/p-1
InChIKeyLVOGTTVDQVCZEV-UHFFFAOYSA-M
MW291.86 g/mol
LogP0.50
Rot. Bonds10

About dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride

dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride (PubChem CID 139894451) has the molecular formula C15H30ClNO2 and a molecular weight of 291.86 g/mol. Its IUPAC name is dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride.

Molecular Properties

Compound Namedimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride
PubChem CID139894451
Molecular FormulaC15H30ClNO2
Molecular Weight291.86 g/mol
Exact Mass291.20
IUPAC Namedimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride
SMILESC=C(C)C(=O)OC[N+](C)(C)CCCCCCCC.[Cl-]
InChIInChI=1S/C15H30NO2.ClH/c1-6-7-8-9-10-11-12-16(4,5)13-18-15(17)14(2)3;/h2,6-13H2,1,3-5H3;1H/q+1;/p-1
InChIKeyLVOGTTVDQVCZEV-UHFFFAOYSA-M
XLogP0.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.86
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride 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

dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 15616472
3-aminopropyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium chloride
CID 161460095
dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide
CID 118037814
dodecyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dioctylazanium
CID 172690680
butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
hexadecyl-methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 141375181
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride?
The IUPAC name of dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride (CID 139894451) is dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride.
What is the SMILES notation for dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride?
The canonical SMILES for dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride is C=C(C)C(=O)OC[N+](C)(C)CCCCCCCC.[Cl-].
What is the InChIKey of dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride?
The InChIKey is LVOGTTVDQVCZEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30NO2.ClH/c1-6-7-8-9-10-11-12-16(4,5)13-18-15(17)14(2)3;/h2,6-13H2,1,3-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride?
dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride has a molecular weight of 291.86 g/mol, XLogP of 0.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride is sourced from PubChem (CID 139894451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).