methyl(10-prop-2-enoyloxydecyl)azanium chloride

C14H28ClNO2 — CID 141008842

IUPACmethyl(10-prop-2-enoyloxydecyl)azanium chloride
SMILESC=CC(=O)OCCCCCCCCCC[NH2+]C.[Cl-]
InChIInChI=1S/C14H27NO2.ClH/c1-3-14(16)17-13-11-9-7-5-4-6-8-10-12-15-2;/h3,15H,1,4-13H2,2H3;1H
InChIKeyBWSHTUGNQWPWHZ-UHFFFAOYSA-N
MW277.84 g/mol
LogP-0.97
Rot. Bonds12

About methyl(10-prop-2-enoyloxydecyl)azanium chloride

methyl(10-prop-2-enoyloxydecyl)azanium chloride (PubChem CID 141008842) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is methyl(10-prop-2-enoyloxydecyl)azanium chloride.

Molecular Properties

Compound Namemethyl(10-prop-2-enoyloxydecyl)azanium chloride
PubChem CID141008842
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC Namemethyl(10-prop-2-enoyloxydecyl)azanium chloride
SMILESC=CC(=O)OCCCCCCCCCC[NH2+]C.[Cl-]
InChIInChI=1S/C14H27NO2.ClH/c1-3-14(16)17-13-11-9-7-5-4-6-8-10-12-15-2;/h3,15H,1,4-13H2,2H3;1H
InChIKeyBWSHTUGNQWPWHZ-UHFFFAOYSA-N
XLogP-0.97
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
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'}

Analyze methyl(10-prop-2-enoyloxydecyl)azanium 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

tris(methyl(2-prop-2-enoyloxyethyl)azanium);trichloride
CID 140990808
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
decyl prop-2-enoate
CID 162172023
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
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
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
heptyl(2-prop-2-enoyloxyethyl)azanium chloride
CID 141468527
azane;octyl prop-2-enoate
CID 175482602

Frequently Asked Questions

What is the IUPAC name of methyl(10-prop-2-enoyloxydecyl)azanium chloride?
The IUPAC name of methyl(10-prop-2-enoyloxydecyl)azanium chloride (CID 141008842) is methyl(10-prop-2-enoyloxydecyl)azanium chloride.
What is the SMILES notation for methyl(10-prop-2-enoyloxydecyl)azanium chloride?
The canonical SMILES for methyl(10-prop-2-enoyloxydecyl)azanium chloride is C=CC(=O)OCCCCCCCCCC[NH2+]C.[Cl-].
What is the InChIKey of methyl(10-prop-2-enoyloxydecyl)azanium chloride?
The InChIKey is BWSHTUGNQWPWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.ClH/c1-3-14(16)17-13-11-9-7-5-4-6-8-10-12-15-2;/h3,15H,1,4-13H2,2H3;1H.
What are the key properties of methyl(10-prop-2-enoyloxydecyl)azanium chloride?
methyl(10-prop-2-enoyloxydecyl)azanium chloride has a molecular weight of 277.84 g/mol, XLogP of -0.97, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(10-prop-2-enoyloxydecyl)azanium chloride is sourced from PubChem (CID 141008842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).