ethyl 3,3-diethoxy-2-methoxypropanoate

C10H20O5 — CID 21412310

IUPACethyl 3,3-diethoxy-2-methoxypropanoate
SMILESCCOC(=O)C(OC)C(OCC)OCC
InChIInChI=1S/C10H20O5/c1-5-13-9(11)8(12-4)10(14-6-2)15-7-3/h8,10H,5-7H2,1-4H3
InChIKeyHMERBDKSEBSVGJ-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.96
Rot. Bonds8

About ethyl 3,3-diethoxy-2-methoxypropanoate

ethyl 3,3-diethoxy-2-methoxypropanoate (PubChem CID 21412310) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is ethyl 3,3-diethoxy-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3,3-diethoxy-2-methoxypropanoate
PubChem CID21412310
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nameethyl 3,3-diethoxy-2-methoxypropanoate
SMILESCCOC(=O)C(OC)C(OCC)OCC
InChIInChI=1S/C10H20O5/c1-5-13-9(11)8(12-4)10(14-6-2)15-7-3/h8,10H,5-7H2,1-4H3
InChIKeyHMERBDKSEBSVGJ-UHFFFAOYSA-N
XLogP0.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dipropyl 2,3-dimethoxybutanedioate
CID 139989452
diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate
CID 25110848
ethyl 2-(diethoxymethyl)pentanoate
CID 24973425
ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150708955
diethyl 2,3-bis(2-methylpropoxy)butanedioate
CID 139989441
2-ethoxy-2-methoxyacetamide
CID 54503538
ethyl 2-methoxybutanoate
CID 59767959
propyl 2-ethoxy-2-methoxyacetate
CID 139936525
ethyl (3R)-3-ethoxy-3-methoxypropanoate
CID 129409053
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
ethyl 2-chloro-2-hydroxyacetate
CID 19966506
diethyl 2-[(1,3-diethoxy-1,3-dioxopropan-2-yl)disulfanyl]propanedioate
CID 139622070

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-diethoxy-2-methoxypropanoate?
The IUPAC name of ethyl 3,3-diethoxy-2-methoxypropanoate (CID 21412310) is ethyl 3,3-diethoxy-2-methoxypropanoate.
What is the SMILES notation for ethyl 3,3-diethoxy-2-methoxypropanoate?
The canonical SMILES for ethyl 3,3-diethoxy-2-methoxypropanoate is CCOC(=O)C(OC)C(OCC)OCC.
What is the InChIKey of ethyl 3,3-diethoxy-2-methoxypropanoate?
The InChIKey is HMERBDKSEBSVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-5-13-9(11)8(12-4)10(14-6-2)15-7-3/h8,10H,5-7H2,1-4H3.
What are the key properties of ethyl 3,3-diethoxy-2-methoxypropanoate?
ethyl 3,3-diethoxy-2-methoxypropanoate has a molecular weight of 220.26 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-diethoxy-2-methoxypropanoate is sourced from PubChem (CID 21412310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).