ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate

C12H20O5 — CID 102449614

IUPACethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)CC(O)C1(C(=O)OCC)CCC1
InChIInChI=1S/C12H20O5/c1-3-16-10(14)8-9(13)12(6-5-7-12)11(15)17-4-2/h9,13H,3-8H2,1-2H3
InChIKeyZNFRZWJVFNUIEI-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.03
Rot. Bonds6

About ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate

ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate (PubChem CID 102449614) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate
PubChem CID102449614
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)CC(O)C1(C(=O)OCC)CCC1
InChIInChI=1S/C12H20O5/c1-3-16-10(14)8-9(13)12(6-5-7-12)11(15)17-4-2/h9,13H,3-8H2,1-2H3
InChIKeyZNFRZWJVFNUIEI-UHFFFAOYSA-N
XLogP1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R,4S)-3-chloro-4-hydroxypentanoate
CID 15936348
ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate
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ethyl 1-[(S)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate
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ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-[1-(dihydroxymethyl)cyclobutyl]-2-methoxyiminoacetate
CID 54478199
ethyl 3-(1-hydroxycyclobutyl)propanoate
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ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate
CID 124637713
ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
CID 141498306
ethyl 1-carbonochloridoylcyclobutane-1-carboxylate
CID 19096810
ethyl 1-carbonobromidoylcyclobutane-1-carboxylate
CID 20826021
diethyl 2,2-dimethylcyclopentane-1,1-dicarboxylate
CID 135041560

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate (CID 102449614) is ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate is CCOC(=O)CC(O)C1(C(=O)OCC)CCC1.
What is the InChIKey of ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate?
The InChIKey is ZNFRZWJVFNUIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-3-16-10(14)8-9(13)12(6-5-7-12)11(15)17-4-2/h9,13H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate?
ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.03, 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-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 102449614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).