formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate

C9H14O7 — CID 118371136

IUPACformyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate
SMILESCCOC(=O)COCCC(=O)OCOC=O
InChIInChI=1S/C9H14O7/c1-2-15-9(12)5-13-4-3-8(11)16-7-14-6-10/h6H,2-5,7H2,1H3
InChIKeyIMFZFRRXBGOPHV-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.37
Rot. Bonds9

About formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate

formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate (PubChem CID 118371136) has the molecular formula C9H14O7 and a molecular weight of 234.20 g/mol. Its IUPAC name is formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate.

Molecular Properties

Compound Nameformyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate
PubChem CID118371136
Molecular FormulaC9H14O7
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Nameformyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate
SMILESCCOC(=O)COCCC(=O)OCOC=O
InChIInChI=1S/C9H14O7/c1-2-15-9(12)5-13-4-3-8(11)16-7-14-6-10/h6H,2-5,7H2,1H3
InChIKeyIMFZFRRXBGOPHV-UHFFFAOYSA-N
XLogP-0.37
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate
CID 118371135
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl 3-but-3-enoxypropanoate
CID 43174166
1-O-ethyl 4-O-formyl butanedioate
CID 91193992
ethyl 2-(3-sulfanylpropoxy)acetate
CID 134600079

Frequently Asked Questions

What is the IUPAC name of formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate?
The IUPAC name of formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate (CID 118371136) is formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate.
What is the SMILES notation for formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate?
The canonical SMILES for formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate is CCOC(=O)COCCC(=O)OCOC=O.
What is the InChIKey of formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate?
The InChIKey is IMFZFRRXBGOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O7/c1-2-15-9(12)5-13-4-3-8(11)16-7-14-6-10/h6H,2-5,7H2,1H3.
What are the key properties of formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate?
formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate has a molecular weight of 234.20 g/mol, XLogP of -0.37, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate is sourced from PubChem (CID 118371136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).