[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium

C12H28NO4+ — CID 21106306

IUPAC[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium
SMILESCC(O)COCC(C)OCC(O)C[N+](C)(C)C
InChIInChI=1S/C12H28NO4/c1-10(14)7-16-8-11(2)17-9-12(15)6-13(3,4)5/h10-12,14-15H,6-9H2,1-5H3/q+1
InChIKeyUEXCAMMXJVSTHQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.14
Rot. Bonds9

About [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium

[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium (PubChem CID 21106306) has the molecular formula C12H28NO4+ and a molecular weight of 250.36 g/mol. Its IUPAC name is [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium
PubChem CID21106306
Molecular FormulaC12H28NO4+
Molecular Weight250.36 g/mol
Exact Mass250.20
IUPAC Name[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium
SMILESCC(O)COCC(C)OCC(O)C[N+](C)(C)C
InChIInChI=1S/C12H28NO4/c1-10(14)7-16-8-11(2)17-9-12(15)6-13(3,4)5/h10-12,14-15H,6-9H2,1-5H3/q+1
InChIKeyUEXCAMMXJVSTHQ-UHFFFAOYSA-N
XLogP-0.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
CID 88878402
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
CID 122545429
1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane
CID 159503599
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
CID 163521633
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl]-trimethylazanium
CID 89337640
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium (CID 21106306) is [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium is CC(O)COCC(C)OCC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium?
The InChIKey is UEXCAMMXJVSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO4/c1-10(14)7-16-8-11(2)17-9-12(15)6-13(3,4)5/h10-12,14-15H,6-9H2,1-5H3/q+1.
What are the key properties of [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium?
[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium has a molecular weight of 250.36 g/mol, XLogP of -0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium is sourced from PubChem (CID 21106306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).