ethyl (2S)-2-(1-ethoxyethoxy)propanoate

C9H18O4 — CID 13306595

IUPACethyl (2S)-2-(1-ethoxyethoxy)propanoate
SMILESCCOC(=O)[C@H](C)OC(C)OCC
InChIInChI=1S/C9H18O4/c1-5-11-8(4)13-7(3)9(10)12-6-2/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyPDPLXOZIQCYODY-JAMMHHFISA-N
MW190.24 g/mol
LogP1.34
Rot. Bonds6

About ethyl (2S)-2-(1-ethoxyethoxy)propanoate

ethyl (2S)-2-(1-ethoxyethoxy)propanoate (PubChem CID 13306595) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl (2S)-2-(1-ethoxyethoxy)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(1-ethoxyethoxy)propanoate
PubChem CID13306595
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameethyl (2S)-2-(1-ethoxyethoxy)propanoate
SMILESCCOC(=O)[C@H](C)OC(C)OCC
InChIInChI=1S/C9H18O4/c1-5-11-8(4)13-7(3)9(10)12-6-2/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyPDPLXOZIQCYODY-JAMMHHFISA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Potassium 2-(1'-ethoxy)ethoxypropionate
CID 23720076
Ethyl 2,2-diethoxypropionate
CID 95835
Ethyl diethoxyacetate
CID 80169
Ethyl 2-((ethoxycarbonyl)oxy)propanoate
CID 97953
(2S,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
CID 9920448
Acetic acid, dibutoxy-, butyl ester
CID 545227
Ethyl 2-(1-ethoxyethoxy)propanoate
CID 552079
Dibutan-2-yl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
CID 219677
2,5-Dimethyl-1,3-dioxolan-4-one
CID 107214
Isobutylcarbonyllactyl anhydride
CID 189809
2-(1-Ethoxyethoxy)propanoic acid
CID 21286131
Dipropan-2-yl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
CID 219675

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(1-ethoxyethoxy)propanoate?
The IUPAC name of ethyl (2S)-2-(1-ethoxyethoxy)propanoate (CID 13306595) is ethyl (2S)-2-(1-ethoxyethoxy)propanoate.
What is the SMILES notation for ethyl (2S)-2-(1-ethoxyethoxy)propanoate?
The canonical SMILES for ethyl (2S)-2-(1-ethoxyethoxy)propanoate is CCOC(=O)[C@H](C)OC(C)OCC.
What is the InChIKey of ethyl (2S)-2-(1-ethoxyethoxy)propanoate?
The InChIKey is PDPLXOZIQCYODY-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18O4/c1-5-11-8(4)13-7(3)9(10)12-6-2/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of ethyl (2S)-2-(1-ethoxyethoxy)propanoate?
ethyl (2S)-2-(1-ethoxyethoxy)propanoate has a molecular weight of 190.24 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(1-ethoxyethoxy)propanoate is sourced from PubChem (CID 13306595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).