ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate

C11H18O5 — CID 155619939

IUPACethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C(O)CC1(C(=O)OCC)CC1
InChIInChI=1S/C11H18O5/c1-3-15-9(13)8(12)7-11(5-6-11)10(14)16-4-2/h8,12H,3-7H2,1-2H3
InChIKeyMTAZMVVMTUBONI-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.64
Rot. Bonds6

About ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate

ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate (PubChem CID 155619939) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate
PubChem CID155619939
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C(O)CC1(C(=O)OCC)CC1
InChIInChI=1S/C11H18O5/c1-3-15-9(13)8(12)7-11(5-6-11)10(14)16-4-2/h8,12H,3-7H2,1-2H3
InChIKeyMTAZMVVMTUBONI-UHFFFAOYSA-N
XLogP0.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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sodium;ethyl 1-(methylsulfanylmethyl)cyclopropane-1-carboxylate;methanethiolate
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ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
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ethyl 4,4,4-trifluoro-2-hydroxybutanoate
CID 19805842
ethyl 4-ethylpiperidin-1-ium-4-carboxylate
CID 86307047
ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395
ethyl 1-[[(3-ethoxy-3-oxopropanoyl)amino]methyl]cyclopropane-1-carboxylate
CID 69183026
ethyl 1-benzylcyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate (CID 155619939) is ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate is CCOC(=O)C(O)CC1(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate?
The InChIKey is MTAZMVVMTUBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-3-15-9(13)8(12)7-11(5-6-11)10(14)16-4-2/h8,12H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate?
ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 155619939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).