dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium

C16H32NO2+ — CID 174984277

IUPACdimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium
SMILESC=CC(=O)OC(C)(C)[N+](C)(C)CCCCCCCC
InChIInChI=1S/C16H32NO2/c1-7-9-10-11-12-13-14-17(5,6)16(3,4)19-15(18)8-2/h8H,2,7,9-14H2,1,3-6H3/q+1
InChIKeyYELSZVQYEKURPR-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.89
Rot. Bonds10

About dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium

dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium (PubChem CID 174984277) has the molecular formula C16H32NO2+ and a molecular weight of 270.44 g/mol. Its IUPAC name is dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium.

Molecular Properties

Compound Namedimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium
PubChem CID174984277
Molecular FormulaC16H32NO2+
Molecular Weight270.44 g/mol
Exact Mass270.24
IUPAC Namedimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium
SMILESC=CC(=O)OC(C)(C)[N+](C)(C)CCCCCCCC
InChIInChI=1S/C16H32NO2/c1-7-9-10-11-12-13-14-17(5,6)16(3,4)19-15(18)8-2/h8H,2,7,9-14H2,1,3-6H3/q+1
InChIKeyYELSZVQYEKURPR-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.89
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-octyl-(2-prop-2-enoyloxypropan-2-yl)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

tert-butyl prop-2-enoate;1-dodecylperoxydodecane
CID 158045908
triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 161382669
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
(3-ethyl-4,4-dimethyldecan-3-yl) prop-2-enoate
CID 164546468
tert-butyl prop-2-enoate;octadecyl prop-2-enoate
CID 175813699
decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
CID 45270101
dodecyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium
CID 139894448
sodium 2-methanidylhexadecan-2-yl prop-2-enoate
CID 175848544
dodecyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141141400
decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
CID 171783669
methyl-di(nonyl)-(2-prop-2-enoyloxyethyl)azanium iodide
CID 164853911
dodecyl-diethyl-(2-prop-2-enoyloxyethyl)azanium
CID 157324966

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium?
The IUPAC name of dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium (CID 174984277) is dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium.
What is the SMILES notation for dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium?
The canonical SMILES for dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium is C=CC(=O)OC(C)(C)[N+](C)(C)CCCCCCCC.
What is the InChIKey of dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium?
The InChIKey is YELSZVQYEKURPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32NO2/c1-7-9-10-11-12-13-14-17(5,6)16(3,4)19-15(18)8-2/h8H,2,7,9-14H2,1,3-6H3/q+1.
What are the key properties of dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium?
dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium has a molecular weight of 270.44 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium is sourced from PubChem (CID 174984277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).