(1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride

C8H18ClNO3 — CID 72828624

IUPAC(1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride
SMILESCCOC(=O)C([NH3+])C(O)C(C)C.[Cl-]
InChIInChI=1S/C8H17NO3.ClH/c1-4-12-8(11)6(9)7(10)5(2)3;/h5-7,10H,4,9H2,1-3H3;1H
InChIKeyMVIYHOHRASKONA-UHFFFAOYSA-N
MW211.69 g/mol
LogP-3.82
Rot. Bonds4

About (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride

(1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride (PubChem CID 72828624) has the molecular formula C8H18ClNO3 and a molecular weight of 211.69 g/mol. Its IUPAC name is (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride
PubChem CID72828624
Molecular FormulaC8H18ClNO3
Molecular Weight211.69 g/mol
Exact Mass211.10
IUPAC Name(1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride
SMILESCCOC(=O)C([NH3+])C(O)C(C)C.[Cl-]
InChIInChI=1S/C8H17NO3.ClH/c1-4-12-8(11)6(9)7(10)5(2)3;/h5-7,10H,4,9H2,1-3H3;1H
InChIKeyMVIYHOHRASKONA-UHFFFAOYSA-N
XLogP-3.82
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 5-3.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride?
The IUPAC name of (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride (CID 72828624) is (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride.
What is the SMILES notation for (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride?
The canonical SMILES for (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride is CCOC(=O)C([NH3+])C(O)C(C)C.[Cl-].
What is the InChIKey of (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride?
The InChIKey is MVIYHOHRASKONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.ClH/c1-4-12-8(11)6(9)7(10)5(2)3;/h5-7,10H,4,9H2,1-3H3;1H.
What are the key properties of (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride?
(1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride has a molecular weight of 211.69 g/mol, XLogP of -3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride is sourced from PubChem (CID 72828624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).