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

C9H14O7 — CID 118371135

IUPACformyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate
SMILESCCOC(=O)COC(C)C(=O)OCOC=O
InChIInChI=1S/C9H14O7/c1-3-14-8(11)4-15-7(2)9(12)16-6-13-5-10/h5,7H,3-4,6H2,1-2H3
InChIKeyOHCKVMBQTNLWKQ-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.37
Rot. Bonds8

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

formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate (PubChem CID 118371135) has the molecular formula C9H14O7 and a molecular weight of 234.20 g/mol. Its IUPAC name is formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate.

Molecular Properties

Compound Nameformyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate
PubChem CID118371135
Molecular FormulaC9H14O7
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Nameformyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate
SMILESCCOC(=O)COC(C)C(=O)OCOC=O
InChIInChI=1S/C9H14O7/c1-3-14-8(11)4-15-7(2)9(12)16-6-13-5-10/h5,7H,3-4,6H2,1-2H3
InChIKeyOHCKVMBQTNLWKQ-UHFFFAOYSA-N
XLogP-0.37
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
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'}

Analyze formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate
CID 118371136
ethyl 2-propan-2-yloxyacetate
CID 537908
formyloxymethyl 3-methylbutanoate
CID 19964796
ethyl (2S)-2-prop-2-enoxypropanoate
CID 14743303
bis(formyloxymethyl) 2-hydroxybutanedioate
CID 174529204
ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride
CID 86621907
formyloxymethyl 2-pentylheptanoate
CID 166690820
ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate
CID 161302432
ethyl 2-[1-(methylamino)propan-2-yloxy]acetate
CID 106939526
ethyl (3S)-3-cyano-4-formyloxybutanoate
CID 87918630
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673

Frequently Asked Questions

What is the IUPAC name of formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate?
The IUPAC name of formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate (CID 118371135) is formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate.
What is the SMILES notation for formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate?
The canonical SMILES for formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate is CCOC(=O)COC(C)C(=O)OCOC=O.
What is the InChIKey of formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate?
The InChIKey is OHCKVMBQTNLWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O7/c1-3-14-8(11)4-15-7(2)9(12)16-6-13-5-10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate?
formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate has a molecular weight of 234.20 g/mol, XLogP of -0.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate is sourced from PubChem (CID 118371135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).