azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate

C19H44N2O6 — CID 174575964

IUPACazane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate
SMILESCCCCCCCCCCCC[N+](C)(C)C.COC(=O)O.COC(=O)[O-].N
InChIInChI=1S/C15H34N.2C2H4O3.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;2*1-5-2(3)4;/h5-15H2,1-4H3;2*1H3,(H,3,4);1H3/q+1;;;/p-1
InChIKeyWKXNEOGNXVXKBO-UHFFFAOYSA-M
MW396.57 g/mol
LogP4.06
Rot. Bonds11

About azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate

azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate (PubChem CID 174575964) has the molecular formula C19H44N2O6 and a molecular weight of 396.57 g/mol. Its IUPAC name is azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate.

Molecular Properties

Compound Nameazane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate
PubChem CID174575964
Molecular FormulaC19H44N2O6
Molecular Weight396.57 g/mol
Exact Mass396.32
IUPAC Nameazane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate
SMILESCCCCCCCCCCCC[N+](C)(C)C.COC(=O)O.COC(=O)[O-].N
InChIInChI=1S/C15H34N.2C2H4O3.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;2*1-5-2(3)4;/h5-15H2,1-4H3;2*1H3,(H,3,4);1H3/q+1;;;/p-1
InChIKeyWKXNEOGNXVXKBO-UHFFFAOYSA-M
XLogP4.06
TPSA130.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;methyl carbonate;methyl hydrogen carbonate;trimethyl(octadecyl)azanium
CID 174575977
dimethyl(dioctyl)azanium;methyl carbonate
CID 160720913
bis(hexadecyl(trimethyl)azanium);carbonate
CID 15617077
bis(trimethyl(tetradecyl)azanium);carbonate
CID 118467100
trimethyl(undecyl)azanium acetate
CID 174998472
hexanoate;trimethyl(nonyl)azanium
CID 139992279
azane;methyl sulfate;trimethyl(tetradecyl)azanium
CID 172859369
dodecyl(trimethyl)azanium;4-hydroxy-4-oxobut-2-enoate
CID 173303617
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
azane;trimethyl(octyl)azanium;bromide
CID 175301747
azane;decyl(trimethyl)azanium;hydrate
CID 174762384
azane;hexadecyl(trimethyl)azanium;hydroiodide
CID 174390577

Frequently Asked Questions

What is the IUPAC name of azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate?
The IUPAC name of azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate (CID 174575964) is azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate.
What is the SMILES notation for azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate?
The canonical SMILES for azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate is CCCCCCCCCCCC[N+](C)(C)C.COC(=O)O.COC(=O)[O-].N.
What is the InChIKey of azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate?
The InChIKey is WKXNEOGNXVXKBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34N.2C2H4O3.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;2*1-5-2(3)4;/h5-15H2,1-4H3;2*1H3,(H,3,4);1H3/q+1;;;/p-1.
What are the key properties of azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate?
azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate has a molecular weight of 396.57 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate is sourced from PubChem (CID 174575964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).