bis(2-hydroxyethyl(trimethyl)azanium);carbonate

C11H28N2O5 — CID 11701720

IUPACbis(2-hydroxyethyl(trimethyl)azanium);carbonate
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.O=C([O-])[O-]
InChIInChI=1S/2C5H14NO.CH2O3/c2*1-6(2,3)4-5-7;2-1(3)4/h2*7H,4-5H2,1-3H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyQNBZBQZEELNQPW-UHFFFAOYSA-L
MW268.35 g/mol
LogP-3.08
Rot. Bonds4

About bis(2-hydroxyethyl(trimethyl)azanium);carbonate

bis(2-hydroxyethyl(trimethyl)azanium);carbonate (PubChem CID 11701720) has the molecular formula C11H28N2O5 and a molecular weight of 268.35 g/mol. Its IUPAC name is bis(2-hydroxyethyl(trimethyl)azanium);carbonate.

Molecular Properties

Compound Namebis(2-hydroxyethyl(trimethyl)azanium);carbonate
PubChem CID11701720
Molecular FormulaC11H28N2O5
Molecular Weight268.35 g/mol
Exact Mass268.20
IUPAC Namebis(2-hydroxyethyl(trimethyl)azanium);carbonate
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.O=C([O-])[O-]
InChIInChI=1S/2C5H14NO.CH2O3/c2*1-6(2,3)4-5-7;2-1(3)4/h2*7H,4-5H2,1-3H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyQNBZBQZEELNQPW-UHFFFAOYSA-L
XLogP-3.08
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 5-3.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
butanedioate;2-hydroxyethyl(trimethyl)azanium
CID 87766528
2,2-dimethylpropanoate;2-hydroxyethyl(trimethyl)azanium
CID 21472941
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate
CID 10313496
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
CID 175396514

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl(trimethyl)azanium);carbonate?
The IUPAC name of bis(2-hydroxyethyl(trimethyl)azanium);carbonate (CID 11701720) is bis(2-hydroxyethyl(trimethyl)azanium);carbonate.
What is the SMILES notation for bis(2-hydroxyethyl(trimethyl)azanium);carbonate?
The canonical SMILES for bis(2-hydroxyethyl(trimethyl)azanium);carbonate is C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=C([O-])[O-].
What is the InChIKey of bis(2-hydroxyethyl(trimethyl)azanium);carbonate?
The InChIKey is QNBZBQZEELNQPW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H14NO.CH2O3/c2*1-6(2,3)4-5-7;2-1(3)4/h2*7H,4-5H2,1-3H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(2-hydroxyethyl(trimethyl)azanium);carbonate?
bis(2-hydroxyethyl(trimethyl)azanium);carbonate has a molecular weight of 268.35 g/mol, XLogP of -3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl(trimethyl)azanium);carbonate is sourced from PubChem (CID 11701720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).