diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane

C17H38O10 — CID 174866576

IUPACdiethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCCOC(=O)OCC.COCCOCCOC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C6H14O3.C5H10O3/c7-1-3-9-5-6-10-4-2-8;1-7-3-5-9-6-4-8-2;1-3-7-5(6)8-4-2/h7-8H,1-6H2;3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyNFQAGTOYLKICTI-UHFFFAOYSA-N
MW402.48 g/mol
LogP0.48
Rot. Bonds15

About diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane

diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane (PubChem CID 174866576) has the molecular formula C17H38O10 and a molecular weight of 402.48 g/mol. Its IUPAC name is diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Namediethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane
PubChem CID174866576
Molecular FormulaC17H38O10
Molecular Weight402.48 g/mol
Exact Mass402.25
IUPAC Namediethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCCOC(=O)OCC.COCCOCCOC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C6H14O3.C5H10O3/c7-1-3-9-5-6-10-4-2-8;1-7-3-5-9-6-4-8-2;1-3-7-5(6)8-4-2/h7-8H,1-6H2;3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyNFQAGTOYLKICTI-UHFFFAOYSA-N
XLogP0.48
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
2-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
2-(2-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
diethyl carbonate;ethane-1,2-diol
CID 19764063
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801

Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane?
The IUPAC name of diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane (CID 174866576) is diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane.
What is the SMILES notation for diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane?
The canonical SMILES for diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane is CCOC(=O)OCC.COCCOCCOC.OCCOCCOCCO.
What is the InChIKey of diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane?
The InChIKey is NFQAGTOYLKICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C6H14O3.C5H10O3/c7-1-3-9-5-6-10-4-2-8;1-7-3-5-9-6-4-8-2;1-3-7-5(6)8-4-2/h7-8H,1-6H2;3-6H2,1-2H3;3-4H2,1-2H3.
What are the key properties of diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane?
diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane has a molecular weight of 402.48 g/mol, XLogP of 0.48, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane is sourced from PubChem (CID 174866576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).