bis(1-ethoxy-2-methoxyethane);hydrate

C10H26O5 — CID 88797439

IUPACbis(1-ethoxy-2-methoxyethane);hydrate
SMILESCCOCCOC.CCOCCOC.O
InChIInChI=1S/2C5H12O2.H2O/c2*1-3-7-5-4-6-2;/h2*3-5H2,1-2H3;1H2
InChIKeyWJHVISWHZYFIQZ-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.51
Rot. Bonds8

About bis(1-ethoxy-2-methoxyethane);hydrate

bis(1-ethoxy-2-methoxyethane);hydrate (PubChem CID 88797439) has the molecular formula C10H26O5 and a molecular weight of 226.31 g/mol. Its IUPAC name is bis(1-ethoxy-2-methoxyethane);hydrate.

Molecular Properties

Compound Namebis(1-ethoxy-2-methoxyethane);hydrate
PubChem CID88797439
Molecular FormulaC10H26O5
Molecular Weight226.31 g/mol
Exact Mass226.18
IUPAC Namebis(1-ethoxy-2-methoxyethane);hydrate
SMILESCCOCCOC.CCOCCOC.O
InChIInChI=1S/2C5H12O2.H2O/c2*1-3-7-5-4-6-2;/h2*3-5H2,1-2H3;1H2
InChIKeyWJHVISWHZYFIQZ-UHFFFAOYSA-N
XLogP0.51
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
1-(ethoxymethoxy)-2-methoxyethane
CID 18398264
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1,2-diethoxyethane;hydrofluoride
CID 175535770
1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
CID 158715782
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885

Frequently Asked Questions

What is the IUPAC name of bis(1-ethoxy-2-methoxyethane);hydrate?
The IUPAC name of bis(1-ethoxy-2-methoxyethane);hydrate (CID 88797439) is bis(1-ethoxy-2-methoxyethane);hydrate.
What is the SMILES notation for bis(1-ethoxy-2-methoxyethane);hydrate?
The canonical SMILES for bis(1-ethoxy-2-methoxyethane);hydrate is CCOCCOC.CCOCCOC.O.
What is the InChIKey of bis(1-ethoxy-2-methoxyethane);hydrate?
The InChIKey is WJHVISWHZYFIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O2.H2O/c2*1-3-7-5-4-6-2;/h2*3-5H2,1-2H3;1H2.
What are the key properties of bis(1-ethoxy-2-methoxyethane);hydrate?
bis(1-ethoxy-2-methoxyethane);hydrate has a molecular weight of 226.31 g/mol, XLogP of 0.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethoxy-2-methoxyethane);hydrate is sourced from PubChem (CID 88797439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).