ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate

C9H18O5 — CID 11095762

IUPACethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate
SMILESCCOC(=O)[C@H](C)OCOCCOC
InChIInChI=1S/C9H18O5/c1-4-13-9(10)8(2)14-7-12-6-5-11-3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyODMOPCSPIGADDA-QMMMGPOBSA-N
MW206.24 g/mol
LogP0.58
Rot. Bonds8

About ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate

ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate (PubChem CID 11095762) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate
PubChem CID11095762
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Nameethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate
SMILESCCOC(=O)[C@H](C)OCOCCOC
InChIInChI=1S/C9H18O5/c1-4-13-9(10)8(2)14-7-12-6-5-11-3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyODMOPCSPIGADDA-QMMMGPOBSA-N
XLogP0.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate?
The IUPAC name of ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate (CID 11095762) is ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate?
The canonical SMILES for ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate is CCOC(=O)[C@H](C)OCOCCOC.
What is the InChIKey of ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate?
The InChIKey is ODMOPCSPIGADDA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O5/c1-4-13-9(10)8(2)14-7-12-6-5-11-3/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate?
ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate has a molecular weight of 206.24 g/mol, XLogP of 0.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-methoxyethoxymethoxy)propanoate is sourced from PubChem (CID 11095762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).