carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate

C11H20O11 — CID 159000036

IUPACcarbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)OOC(=O)OCCOCC.O=C(O)O
InChIInChI=1S/C10H18O8.CH2O3/c1-3-13-5-7-15-9(11)17-18-10(12)16-8-6-14-4-2;2-1(3)4/h3-8H2,1-2H3;(H2,2,3,4)
InChIKeyJRFOSLZAMLSHAY-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.50
Rot. Bonds8

About carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate

carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate (PubChem CID 159000036) has the molecular formula C11H20O11 and a molecular weight of 328.27 g/mol. Its IUPAC name is carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate.

Molecular Properties

Compound Namecarbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate
PubChem CID159000036
Molecular FormulaC11H20O11
Molecular Weight328.27 g/mol
Exact Mass328.10
IUPAC Namecarbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)OOC(=O)OCCOCC.O=C(O)O
InChIInChI=1S/C10H18O8.CH2O3/c1-3-13-5-7-15-9(11)17-18-10(12)16-8-6-14-4-2;2-1(3)4/h3-8H2,1-2H3;(H2,2,3,4)
InChIKeyJRFOSLZAMLSHAY-UHFFFAOYSA-N
XLogP1.50
TPSA147.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
CID 118305942
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
2-ethoxyethyl 3-iodoprop-2-ynyl carbonate
CID 23469169
2-ethoxyacetic acid;2-ethoxyethyl acetate
CID 175733176
2-ethoxyethyl 2-fluoroacetate
CID 88537895

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate?
The IUPAC name of carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate (CID 159000036) is carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate.
What is the SMILES notation for carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate?
The canonical SMILES for carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate is CCOCCOC(=O)OOC(=O)OCCOCC.O=C(O)O.
What is the InChIKey of carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate?
The InChIKey is JRFOSLZAMLSHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O8.CH2O3/c1-3-13-5-7-15-9(11)17-18-10(12)16-8-6-14-4-2;2-1(3)4/h3-8H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate?
carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate has a molecular weight of 328.27 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate is sourced from PubChem (CID 159000036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).