decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium

C17H34NO2+ — CID 171783669

IUPACdecyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OC(C)[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C17H34NO2/c1-6-8-9-10-11-12-13-14-15-18(4,5)16(3)20-17(19)7-2/h7,16H,2,6,8-15H2,1,3-5H3/q+1
InChIKeyVXAUGMWVJQIMGS-UHFFFAOYSA-N
MW284.46 g/mol
LogP4.28
Rot. Bonds12

About decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium

decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium (PubChem CID 171783669) has the molecular formula C17H34NO2+ and a molecular weight of 284.46 g/mol. Its IUPAC name is decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Namedecyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
PubChem CID171783669
Molecular FormulaC17H34NO2+
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Namedecyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OC(C)[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C17H34NO2/c1-6-8-9-10-11-12-13-14-15-18(4,5)16(3)20-17(19)7-2/h7,16H,2,6,8-15H2,1,3-5H3/q+1
InChIKeyVXAUGMWVJQIMGS-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 54.28
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'}

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Related Compounds

dimethyl-pentyl-(1-prop-2-enoyloxyethyl)azanium chloride
CID 171783670
dodecyl-ethyl-methyl-(1-prop-2-enoyloxyethyl)azanium
CID 174865877
3-aminopropyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium chloride
CID 160936400
dimethyl-octadecyl-(2-prop-2-enoyloxypropyl)azanium chloride
CID 87453745
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
CID 175070696
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 166790157
dimethyl-(1-octadecanoyloxyethyl)-octadecylazanium
CID 87530867
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 166790156
octadecan-6-yl prop-2-enoate
CID 91523695
heptadecan-8-yl prop-2-enoate
CID 121420657
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium?
The IUPAC name of decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium (CID 171783669) is decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium is C=CC(=O)OC(C)[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium?
The InChIKey is VXAUGMWVJQIMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO2/c1-6-8-9-10-11-12-13-14-15-18(4,5)16(3)20-17(19)7-2/h7,16H,2,6,8-15H2,1,3-5H3/q+1.
What are the key properties of decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium?
decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium has a molecular weight of 284.46 g/mol, XLogP of 4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 171783669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).