1,1-dimethoxyethane chloride

C4H10ClO2- — CID 22648542

IUPAC1,1-dimethoxyethane chloride
SMILESCOC(C)OC.[Cl-]
InChIInChI=1S/C4H10O2.ClH/c1-4(5-2)6-3;/h4H,1-3H3;1H/p-1
InChIKeyNJBVZZSGBMPESV-UHFFFAOYSA-M
MW125.57 g/mol
LogP-2.37
Rot. Bonds2

About 1,1-dimethoxyethane chloride

1,1-dimethoxyethane chloride (PubChem CID 22648542) has the molecular formula C4H10ClO2- and a molecular weight of 125.57 g/mol. Its IUPAC name is 1,1-dimethoxyethane chloride.

Molecular Properties

Compound Name1,1-dimethoxyethane chloride
PubChem CID22648542
Molecular FormulaC4H10ClO2-
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Name1,1-dimethoxyethane chloride
SMILESCOC(C)OC.[Cl-]
InChIInChI=1S/C4H10O2.ClH/c1-4(5-2)6-3;/h4H,1-3H3;1H/p-1
InChIKeyNJBVZZSGBMPESV-UHFFFAOYSA-M
XLogP-2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.57
LogP ≤ 5-2.37
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 chloride?
The IUPAC name of 1,1-dimethoxyethane chloride (CID 22648542) is 1,1-dimethoxyethane chloride.
What is the SMILES notation for 1,1-dimethoxyethane chloride?
The canonical SMILES for 1,1-dimethoxyethane chloride is COC(C)OC.[Cl-].
What is the InChIKey of 1,1-dimethoxyethane chloride?
The InChIKey is NJBVZZSGBMPESV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2.ClH/c1-4(5-2)6-3;/h4H,1-3H3;1H/p-1.
What are the key properties of 1,1-dimethoxyethane chloride?
1,1-dimethoxyethane chloride has a molecular weight of 125.57 g/mol, XLogP of -2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane chloride is sourced from PubChem (CID 22648542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).