decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium

C17H34NO2+ — CID 45270101

IUPACdecyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C17H34NO2/c1-5-7-8-9-10-11-12-13-14-18(3,4)15-16-20-17(19)6-2/h6H,2,5,7-16H2,1,3-4H3/q+1
InChIKeySKVQYXQLQDKCJO-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.93
Rot. Bonds13

About decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium

decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium (PubChem CID 45270101) has the molecular formula C17H34NO2+ and a molecular weight of 284.46 g/mol. Its IUPAC name is decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Namedecyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
PubChem CID45270101
Molecular FormulaC17H34NO2+
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Namedecyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C17H34NO2/c1-5-7-8-9-10-11-12-13-14-18(3,4)15-16-20-17(19)6-2/h6H,2,5,7-16H2,1,3-4H3/q+1
InChIKeySKVQYXQLQDKCJO-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium
CID 139894448
methyl-di(nonyl)-(2-prop-2-enoyloxyethyl)azanium iodide
CID 164853911
dodecyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141141400
dodecyl-diethyl-(2-prop-2-enoyloxyethyl)azanium
CID 157324966
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxycarbonyloxy]ethyl]-dimethylazanium
CID 102200373
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium (CID 45270101) is decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is SKVQYXQLQDKCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO2/c1-5-7-8-9-10-11-12-13-14-18(3,4)15-16-20-17(19)6-2/h6H,2,5,7-16H2,1,3-4H3/q+1.
What are the key properties of decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 284.46 g/mol, XLogP of 3.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 45270101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).