1,1,1-trimethoxyethane;hydrochloride

C5H13ClO3 — CID 162313346

IUPAC1,1,1-trimethoxyethane;hydrochloride
SMILESCOC(C)(OC)OC.Cl
InChIInChI=1S/C5H12O3.ClH/c1-5(6-2,7-3)8-4;/h1-4H3;1H
InChIKeyCZMFAWRHEWJGIH-UHFFFAOYSA-N
MW156.61 g/mol
LogP1.02
Rot. Bonds3

About 1,1,1-trimethoxyethane;hydrochloride

1,1,1-trimethoxyethane;hydrochloride (PubChem CID 162313346) has the molecular formula C5H13ClO3 and a molecular weight of 156.61 g/mol. Its IUPAC name is 1,1,1-trimethoxyethane;hydrochloride.

Molecular Properties

Compound Name1,1,1-trimethoxyethane;hydrochloride
PubChem CID162313346
Molecular FormulaC5H13ClO3
Molecular Weight156.61 g/mol
Exact Mass156.06
IUPAC Name1,1,1-trimethoxyethane;hydrochloride
SMILESCOC(C)(OC)OC.Cl
InChIInChI=1S/C5H12O3.ClH/c1-5(6-2,7-3)8-4;/h1-4H3;1H
InChIKeyCZMFAWRHEWJGIH-UHFFFAOYSA-N
XLogP1.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethoxypropane
CID 6495
Trimethyl orthoacetate
CID 15050
2,2-Dimethoxybutane
CID 137941
1,1,1-Trimethoxypropane
CID 141145
1,1-Dimethoxyethan-1-ol
CID 18413361
1-Fluoro-1,1-dimethoxyethane
CID 19762852
Triethoxymethyl perchlorate
CID 134893142
2-Fluoro-1,1,1-trimethoxyethane
CID 155290520
[Chloro(diethoxy)methoxy]ethane
CID 11469465
CID 19377162
CID 19377162
1,1-Dimethoxyethane;hydrochloride
CID 19813467
1-Chloro-1,1-dimethoxyethane
CID 20403173

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxyethane;hydrochloride?
The IUPAC name of 1,1,1-trimethoxyethane;hydrochloride (CID 162313346) is 1,1,1-trimethoxyethane;hydrochloride.
What is the SMILES notation for 1,1,1-trimethoxyethane;hydrochloride?
The canonical SMILES for 1,1,1-trimethoxyethane;hydrochloride is COC(C)(OC)OC.Cl.
What is the InChIKey of 1,1,1-trimethoxyethane;hydrochloride?
The InChIKey is CZMFAWRHEWJGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.ClH/c1-5(6-2,7-3)8-4;/h1-4H3;1H.
What are the key properties of 1,1,1-trimethoxyethane;hydrochloride?
1,1,1-trimethoxyethane;hydrochloride has a molecular weight of 156.61 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxyethane;hydrochloride is sourced from PubChem (CID 162313346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).