1,1-dimethoxyethane;hydrochloride

C4H11ClO2 — CID 19813467

IUPAC1,1-dimethoxyethane;hydrochloride
SMILESCOC(C)OC.Cl
InChIInChI=1S/C4H10O2.ClH/c1-4(5-2)6-3;/h4H,1-3H3;1H
InChIKeyNJBVZZSGBMPESV-UHFFFAOYSA-N
MW126.58 g/mol
LogP1.05
Rot. Bonds2

About 1,1-dimethoxyethane;hydrochloride

1,1-dimethoxyethane;hydrochloride (PubChem CID 19813467) has the molecular formula C4H11ClO2 and a molecular weight of 126.58 g/mol. Its IUPAC name is 1,1-dimethoxyethane;hydrochloride.

Molecular Properties

Compound Name1,1-dimethoxyethane;hydrochloride
PubChem CID19813467
Molecular FormulaC4H11ClO2
Molecular Weight126.58 g/mol
Exact Mass126.04
IUPAC Name1,1-dimethoxyethane;hydrochloride
SMILESCOC(C)OC.Cl
InChIInChI=1S/C4H10O2.ClH/c1-4(5-2)6-3;/h4H,1-3H3;1H
InChIKeyNJBVZZSGBMPESV-UHFFFAOYSA-N
XLogP1.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.58
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;hydrochloride?
The IUPAC name of 1,1-dimethoxyethane;hydrochloride (CID 19813467) is 1,1-dimethoxyethane;hydrochloride.
What is the SMILES notation for 1,1-dimethoxyethane;hydrochloride?
The canonical SMILES for 1,1-dimethoxyethane;hydrochloride is COC(C)OC.Cl.
What is the InChIKey of 1,1-dimethoxyethane;hydrochloride?
The InChIKey is NJBVZZSGBMPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.ClH/c1-4(5-2)6-3;/h4H,1-3H3;1H.
What are the key properties of 1,1-dimethoxyethane;hydrochloride?
1,1-dimethoxyethane;hydrochloride has a molecular weight of 126.58 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;hydrochloride is sourced from PubChem (CID 19813467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).