[2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium

C9H22NO3+ — CID 18421254

IUPAC[2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium
SMILESCC(O)COCC(O)C[N+](C)(C)C
InChIInChI=1S/C9H22NO3/c1-8(11)6-13-7-9(12)5-10(2,3)4/h8-9,11-12H,5-7H2,1-4H3/q+1
InChIKeyYQQDPOWXIMMPCG-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.55
Rot. Bonds6

About [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium

[2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium (PubChem CID 18421254) has the molecular formula C9H22NO3+ and a molecular weight of 192.28 g/mol. Its IUPAC name is [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium
PubChem CID18421254
Molecular FormulaC9H22NO3+
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC Name[2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium
SMILESCC(O)COCC(O)C[N+](C)(C)C
InChIInChI=1S/C9H22NO3/c1-8(11)6-13-7-9(12)5-10(2,3)4/h8-9,11-12H,5-7H2,1-4H3/q+1
InChIKeyYQQDPOWXIMMPCG-UHFFFAOYSA-N
XLogP-0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium (CID 18421254) is [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium is CC(O)COCC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium?
The InChIKey is YQQDPOWXIMMPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3/c1-8(11)6-13-7-9(12)5-10(2,3)4/h8-9,11-12H,5-7H2,1-4H3/q+1.
What are the key properties of [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium?
[2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium has a molecular weight of 192.28 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium is sourced from PubChem (CID 18421254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).