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

C9H17O6- — CID 131718681

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
SMILESCCOCCOCCOCCOC(=O)[O-]
InChIInChI=1S/C9H18O6/c1-2-12-3-4-13-5-6-14-7-8-15-9(10)11/h2-8H2,1H3,(H,10,11)/p-1
InChIKeyUQPHQKIJQGRJFC-UHFFFAOYSA-M
MW221.23 g/mol
LogP-0.58
Rot. Bonds10

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

2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate (PubChem CID 131718681) has the molecular formula C9H17O6- and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
PubChem CID131718681
Molecular FormulaC9H17O6-
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
SMILESCCOCCOCCOCCOC(=O)[O-]
InChIInChI=1S/C9H18O6/c1-2-12-3-4-13-5-6-14-7-8-15-9(10)11/h2-8H2,1H3,(H,10,11)/p-1
InChIKeyUQPHQKIJQGRJFC-UHFFFAOYSA-M
XLogP-0.58
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
magnesium propyl carbonate
CID 22154995
lithium 2-methoxyethyl carbonate
CID 139846001
calcium propyl carbonate
CID 158672692
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate (CID 131718681) is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate is CCOCCOCCOCCOC(=O)[O-].
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate?
The InChIKey is UQPHQKIJQGRJFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18O6/c1-2-12-3-4-13-5-6-14-7-8-15-9(10)11/h2-8H2,1H3,(H,10,11)/p-1.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate?
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate has a molecular weight of 221.23 g/mol, XLogP of -0.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate is sourced from PubChem (CID 131718681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).