bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate

C21H42O11 — CID 123756469

IUPACbis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
SMILESCCOCCOCCOCCOCCOC(=O)OCCOCCOCCOCCOCC
InChIInChI=1S/C21H42O11/c1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-21(22)32-20-18-30-16-14-28-12-10-26-8-6-24-4-2/h3-20H2,1-2H3
InChIKeyOZWGBWYCBFPTSN-UHFFFAOYSA-N
MW470.56 g/mol
LogP1.31
Rot. Bonds26

About bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate

bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate (PubChem CID 123756469) has the molecular formula C21H42O11 and a molecular weight of 470.56 g/mol. Its IUPAC name is bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate.

Molecular Properties

Compound Namebis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
PubChem CID123756469
Molecular FormulaC21H42O11
Molecular Weight470.56 g/mol
Exact Mass470.27
IUPAC Namebis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
SMILESCCOCCOCCOCCOCCOC(=O)OCCOCCOCCOCCOCC
InChIInChI=1S/C21H42O11/c1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-21(22)32-20-18-30-16-14-28-12-10-26-8-6-24-4-2/h3-20H2,1-2H3
InChIKeyOZWGBWYCBFPTSN-UHFFFAOYSA-N
XLogP1.31
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate
CID 159000036
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
2-ethoxyethyl 3-iodoprop-2-ynyl carbonate
CID 23469169
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate?
The IUPAC name of bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate (CID 123756469) is bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate.
What is the SMILES notation for bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate?
The canonical SMILES for bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate is CCOCCOCCOCCOCCOC(=O)OCCOCCOCCOCCOCC.
What is the InChIKey of bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate?
The InChIKey is OZWGBWYCBFPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O11/c1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-21(22)32-20-18-30-16-14-28-12-10-26-8-6-24-4-2/h3-20H2,1-2H3.
What are the key properties of bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate?
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate has a molecular weight of 470.56 g/mol, XLogP of 1.31, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate is sourced from PubChem (CID 123756469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).