1,2-dimethoxyethane;toluene;hydrate

C11H20O3 — CID 131731093

IUPAC1,2-dimethoxyethane;toluene;hydrate
SMILESCOCCOC.Cc1ccccc1.O
InChIInChI=1S/C7H8.C4H10O2.H2O/c1-7-5-3-2-4-6-7;1-5-3-4-6-2;/h2-6H,1H3;3-4H2,1-2H3;1H2
InChIKeyDQLSHZAGNWXXNL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.45
Rot. Bonds3

About 1,2-dimethoxyethane;toluene;hydrate

1,2-dimethoxyethane;toluene;hydrate (PubChem CID 131731093) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,2-dimethoxyethane;toluene;hydrate.

Molecular Properties

Compound Name1,2-dimethoxyethane;toluene;hydrate
PubChem CID131731093
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1,2-dimethoxyethane;toluene;hydrate
SMILESCOCCOC.Cc1ccccc1.O
InChIInChI=1S/C7H8.C4H10O2.H2O/c1-7-5-3-2-4-6-7;1-5-3-4-6-2;/h2-6H,1H3;3-4H2,1-2H3;1H2
InChIKeyDQLSHZAGNWXXNL-UHFFFAOYSA-N
XLogP1.45
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;toluene;hydrate?
The IUPAC name of 1,2-dimethoxyethane;toluene;hydrate (CID 131731093) is 1,2-dimethoxyethane;toluene;hydrate.
What is the SMILES notation for 1,2-dimethoxyethane;toluene;hydrate?
The canonical SMILES for 1,2-dimethoxyethane;toluene;hydrate is COCCOC.Cc1ccccc1.O.
What is the InChIKey of 1,2-dimethoxyethane;toluene;hydrate?
The InChIKey is DQLSHZAGNWXXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10O2.H2O/c1-7-5-3-2-4-6-7;1-5-3-4-6-2;/h2-6H,1H3;3-4H2,1-2H3;1H2.
What are the key properties of 1,2-dimethoxyethane;toluene;hydrate?
1,2-dimethoxyethane;toluene;hydrate has a molecular weight of 200.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;toluene;hydrate is sourced from PubChem (CID 131731093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).