2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid

C19H45BNO4+ — CID 174886469

IUPAC2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid
SMILESCCCCCCCCCCCCCCOB(O)O.C[N+](C)(C)CCO
InChIInChI=1S/C14H31BO3.C5H14NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;1-6(2,3)4-5-7/h16-17H,2-14H2,1H3;7H,4-5H2,1-3H3/q;+1
InChIKeyJAZXPHQZEIWAMS-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.36
Rot. Bonds16

About 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid

2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid (PubChem CID 174886469) has the molecular formula C19H45BNO4+ and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid
PubChem CID174886469
Molecular FormulaC19H45BNO4+
Molecular Weight362.38 g/mol
Exact Mass362.34
IUPAC Name2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid
SMILESCCCCCCCCCCCCCCOB(O)O.C[N+](C)(C)CCO
InChIInChI=1S/C14H31BO3.C5H14NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;1-6(2,3)4-5-7/h16-17H,2-14H2,1H3;7H,4-5H2,1-3H3/q;+1
InChIKeyJAZXPHQZEIWAMS-UHFFFAOYSA-N
XLogP3.36
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nonadecoxyboronic acid
CID 154133434
azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
2-hydroxyethyl(trimethyl)azanium;triacontan-1-ol;chloride
CID 175430190
tridecoxyboronic acid;tridodecyl borate
CID 174050200
hexadecyl(trimethyl)azanium;2-hydroxyethyl(trimethyl)azanium;hydrate
CID 173222030
hexadecyl hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 173035540
di(nonoxy)borinic acid
CID 150530087
2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine
CID 146290768
boric acid;butane-1,4-diol;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175230989
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436
CID 131878919
CID 131878919

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid (CID 174886469) is 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid is CCCCCCCCCCCCCCOB(O)O.C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid?
The InChIKey is JAZXPHQZEIWAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BO3.C5H14NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;1-6(2,3)4-5-7/h16-17H,2-14H2,1H3;7H,4-5H2,1-3H3/q;+1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid?
2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid has a molecular weight of 362.38 g/mol, XLogP of 3.36, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid is sourced from PubChem (CID 174886469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).