trimethyl(8-prop-2-enoyloxyoctyl)azanium

C14H28NO2+ — CID 10060306

IUPACtrimethyl(8-prop-2-enoyloxyoctyl)azanium
SMILESC=CC(=O)OCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C14H28NO2/c1-5-14(16)17-13-11-9-7-6-8-10-12-15(2,3)4/h5H,1,6-13H2,2-4H3/q+1
InChIKeyHSLUTFYDQZPXSW-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.76
Rot. Bonds10

About trimethyl(8-prop-2-enoyloxyoctyl)azanium

trimethyl(8-prop-2-enoyloxyoctyl)azanium (PubChem CID 10060306) has the molecular formula C14H28NO2+ and a molecular weight of 242.38 g/mol. Its IUPAC name is trimethyl(8-prop-2-enoyloxyoctyl)azanium.

Molecular Properties

Compound Nametrimethyl(8-prop-2-enoyloxyoctyl)azanium
PubChem CID10060306
Molecular FormulaC14H28NO2+
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Nametrimethyl(8-prop-2-enoyloxyoctyl)azanium
SMILESC=CC(=O)OCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C14H28NO2/c1-5-14(16)17-13-11-9-7-6-8-10-12-15(2,3)4/h5H,1,6-13H2,2-4H3/q+1
InChIKeyHSLUTFYDQZPXSW-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.76
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

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
diethyl-methyl-(4-prop-2-enoyloxybutyl)azanium
CID 54323618
dodecyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium
CID 139894448
2-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxyethyl-trimethylazanium
CID 87337635
3-carboxypropyl-dimethyl-(9-prop-2-enoyloxynonyl)azanium
CID 118143336
butyl(trimethyl)azanium;methane;prop-2-enoyl chloride;trimethyl(3-prop-2-enoyloxypropyl)azanium
CID 161073914
4-methylbenzenesulfonate;trimethyl(4-prop-2-enoyloxybutyl)azanium
CID 172711616
hexyl prop-2-enoate
CID 17259
pentatriacontyl prop-2-enoate
CID 141309454
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
CID 159699669

Frequently Asked Questions

What is the IUPAC name of trimethyl(8-prop-2-enoyloxyoctyl)azanium?
The IUPAC name of trimethyl(8-prop-2-enoyloxyoctyl)azanium (CID 10060306) is trimethyl(8-prop-2-enoyloxyoctyl)azanium.
What is the SMILES notation for trimethyl(8-prop-2-enoyloxyoctyl)azanium?
The canonical SMILES for trimethyl(8-prop-2-enoyloxyoctyl)azanium is C=CC(=O)OCCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(8-prop-2-enoyloxyoctyl)azanium?
The InChIKey is HSLUTFYDQZPXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO2/c1-5-14(16)17-13-11-9-7-6-8-10-12-15(2,3)4/h5H,1,6-13H2,2-4H3/q+1.
What are the key properties of trimethyl(8-prop-2-enoyloxyoctyl)azanium?
trimethyl(8-prop-2-enoyloxyoctyl)azanium has a molecular weight of 242.38 g/mol, XLogP of 2.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(8-prop-2-enoyloxyoctyl)azanium is sourced from PubChem (CID 10060306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).