ethyl 2,3-diethoxypropanoate

C9H18O4 — CID 568527

IUPACethyl 2,3-diethoxypropanoate
SMILESCCOCC(OCC)C(=O)OCC
InChIInChI=1S/C9H18O4/c1-4-11-7-8(12-5-2)9(10)13-6-3/h8H,4-7H2,1-3H3
InChIKeyYZLFCKHEPNGJND-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds7

About ethyl 2,3-diethoxypropanoate

ethyl 2,3-diethoxypropanoate (PubChem CID 568527) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl 2,3-diethoxypropanoate.

Molecular Properties

Compound Nameethyl 2,3-diethoxypropanoate
PubChem CID568527
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameethyl 2,3-diethoxypropanoate
SMILESCCOCC(OCC)C(=O)OCC
InChIInChI=1S/C9H18O4/c1-4-11-7-8(12-5-2)9(10)13-6-3/h8H,4-7H2,1-3H3
InChIKeyYZLFCKHEPNGJND-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Butyl Butyryllactate
CID 24114
Tripropionin
CID 8763
2-Ethoxy-1-methyl-2-oxoethyl butyrate
CID 9815474
Diisopropyl oxalate
CID 69209
Ethyl 2-acetyloxypropanoate
CID 221166
Dimethyl methoxymalonate
CID 78718
1,2,3-Propanetriol, diacetate propanoate
CID 20111767
Di-sec-butyl oxalate
CID 114566
Succinic acid, 2,3-diethoxy-, diethyl ester
CID 96236
(1S)-1-Methyl-2-(1-methylethoxy)-2-oxoethyl 2,2-dimethylpropanoate
CID 121317744
Ethyl glycidate
CID 107319
Acetic acid, 2-(1-methyl-2-(1-methyl-2-propoxyethoxy)ethoxy)-, sodium salt (1:1)
CID 44153734

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-diethoxypropanoate?
The IUPAC name of ethyl 2,3-diethoxypropanoate (CID 568527) is ethyl 2,3-diethoxypropanoate.
What is the SMILES notation for ethyl 2,3-diethoxypropanoate?
The canonical SMILES for ethyl 2,3-diethoxypropanoate is CCOCC(OCC)C(=O)OCC.
What is the InChIKey of ethyl 2,3-diethoxypropanoate?
The InChIKey is YZLFCKHEPNGJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-11-7-8(12-5-2)9(10)13-6-3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2,3-diethoxypropanoate?
ethyl 2,3-diethoxypropanoate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diethoxypropanoate is sourced from PubChem (CID 568527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).