ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate

C11H18O4S — CID 176866632

IUPACethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate
SMILESCCOC(=O)CSC1(CC(=O)OCC)CC1
InChIInChI=1S/C11H18O4S/c1-3-14-9(12)7-11(5-6-11)16-8-10(13)15-4-2/h3-8H2,1-2H3
InChIKeyKCGFXPCVUCDLKC-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.77
Rot. Bonds7

About ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate

ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate (PubChem CID 176866632) has the molecular formula C11H18O4S and a molecular weight of 246.33 g/mol. Its IUPAC name is ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate
PubChem CID176866632
Molecular FormulaC11H18O4S
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Nameethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate
SMILESCCOC(=O)CSC1(CC(=O)OCC)CC1
InChIInChI=1S/C11H18O4S/c1-3-14-9(12)7-11(5-6-11)16-8-10(13)15-4-2/h3-8H2,1-2H3
InChIKeyKCGFXPCVUCDLKC-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid
CID 114993494
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-bromosulfanylacetate
CID 12575404
ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
CID 86061361
ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate
CID 65211588
ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
CID 62395927
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
ethyl 2-[[1-(trifluoromethyl)cyclopropyl]methylsulfanyl]acetate
CID 146442051
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate?
The IUPAC name of ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate (CID 176866632) is ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate?
The canonical SMILES for ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate is CCOC(=O)CSC1(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate?
The InChIKey is KCGFXPCVUCDLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4S/c1-3-14-9(12)7-11(5-6-11)16-8-10(13)15-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate?
ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate has a molecular weight of 246.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate is sourced from PubChem (CID 176866632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).