ethoxycarbonyloxymethoxymethyl ethyl carbonate

C8H14O7 — CID 142756637

IUPACethoxycarbonyloxymethoxymethyl ethyl carbonate
SMILESCCOC(=O)OCOCOC(=O)OCC
InChIInChI=1S/C8H14O7/c1-3-12-7(9)14-5-11-6-15-8(10)13-4-2/h3-6H2,1-2H3
InChIKeyRUTZWLSMGUQOLF-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.26
Rot. Bonds6

About ethoxycarbonyloxymethoxymethyl ethyl carbonate

ethoxycarbonyloxymethoxymethyl ethyl carbonate (PubChem CID 142756637) has the molecular formula C8H14O7 and a molecular weight of 222.19 g/mol. Its IUPAC name is ethoxycarbonyloxymethoxymethyl ethyl carbonate.

Molecular Properties

Compound Nameethoxycarbonyloxymethoxymethyl ethyl carbonate
PubChem CID142756637
Molecular FormulaC8H14O7
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Nameethoxycarbonyloxymethoxymethyl ethyl carbonate
SMILESCCOC(=O)OCOCOC(=O)OCC
InChIInChI=1S/C8H14O7/c1-3-12-7(9)14-5-11-6-15-8(10)13-4-2/h3-6H2,1-2H3
InChIKeyRUTZWLSMGUQOLF-UHFFFAOYSA-N
XLogP1.26
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
carbonic acid;diethyl carbonate;ethyl acetate
CID 174801545
ethyl fluoro carbonate
CID 18542699
(2-chloro-2-oxoethyl) ethyl carbonate
CID 90058161
ethyl 2-oxoethyl carbonate
CID 87169722

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyloxymethoxymethyl ethyl carbonate?
The IUPAC name of ethoxycarbonyloxymethoxymethyl ethyl carbonate (CID 142756637) is ethoxycarbonyloxymethoxymethyl ethyl carbonate.
What is the SMILES notation for ethoxycarbonyloxymethoxymethyl ethyl carbonate?
The canonical SMILES for ethoxycarbonyloxymethoxymethyl ethyl carbonate is CCOC(=O)OCOCOC(=O)OCC.
What is the InChIKey of ethoxycarbonyloxymethoxymethyl ethyl carbonate?
The InChIKey is RUTZWLSMGUQOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O7/c1-3-12-7(9)14-5-11-6-15-8(10)13-4-2/h3-6H2,1-2H3.
What are the key properties of ethoxycarbonyloxymethoxymethyl ethyl carbonate?
ethoxycarbonyloxymethoxymethyl ethyl carbonate has a molecular weight of 222.19 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyloxymethoxymethyl ethyl carbonate is sourced from PubChem (CID 142756637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).