16-(dimethylamino)hexadecyl hydrogen carbonate;methanol

C20H43NO4 — CID 177226499

IUPAC16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
SMILESCN(C)CCCCCCCCCCCCCCCCOC(=O)O.CO
InChIInChI=1S/C19H39NO3.CH4O/c1-20(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-19(21)22;1-2/h3-18H2,1-2H3,(H,21,22);2H,1H3
InChIKeyOQWMHPUGNLUAOT-UHFFFAOYSA-N
MW361.57 g/mol
LogP5.31
Rot. Bonds17

About 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol

16-(dimethylamino)hexadecyl hydrogen carbonate;methanol (PubChem CID 177226499) has the molecular formula C20H43NO4 and a molecular weight of 361.57 g/mol. Its IUPAC name is 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol.

Molecular Properties

Compound Name16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
PubChem CID177226499
Molecular FormulaC20H43NO4
Molecular Weight361.57 g/mol
Exact Mass361.32
IUPAC Name16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
SMILESCN(C)CCCCCCCCCCCCCCCCOC(=O)O.CO
InChIInChI=1S/C19H39NO3.CH4O/c1-20(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-19(21)22;1-2/h3-18H2,1-2H3,(H,21,22);2H,1H3
InChIKeyOQWMHPUGNLUAOT-UHFFFAOYSA-N
XLogP5.31
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

16-(dimethylamino)hexadecyl hydrogen carbonate
CID 177225064
11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507
bis[6-(dimethylamino)hexyl] (Z)-but-2-enedioate
CID 87123530
carbonic acid;5-carboxyoxypentyl hydrogen carbonate
CID 87376927
3-[4-(dimethylamino)butoxy]-3-oxopropanoic acid
CID 87400379
10-(dimethylamino)decyl methyl carbonate;ethane
CID 177226338
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
azane;nonyl hydrogen carbonate
CID 175306231
5-(dimethylamino)pentyl hexa-2,4-dienoate
CID 54421505

Frequently Asked Questions

What is the IUPAC name of 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol?
The IUPAC name of 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol (CID 177226499) is 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol.
What is the SMILES notation for 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol?
The canonical SMILES for 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol is CN(C)CCCCCCCCCCCCCCCCOC(=O)O.CO.
What is the InChIKey of 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol?
The InChIKey is OQWMHPUGNLUAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3.CH4O/c1-20(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-19(21)22;1-2/h3-18H2,1-2H3,(H,21,22);2H,1H3.
What are the key properties of 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol?
16-(dimethylamino)hexadecyl hydrogen carbonate;methanol has a molecular weight of 361.57 g/mol, XLogP of 5.31, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(dimethylamino)hexadecyl hydrogen carbonate;methanol is sourced from PubChem (CID 177226499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).