methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate

C10H16O4S — CID 107775811

IUPACmethyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CSCC1(CC(=O)OC)CC1
InChIInChI=1S/C10H16O4S/c1-13-8(11)5-10(3-4-10)7-15-6-9(12)14-2/h3-7H2,1-2H3
InChIKeyGETFUFGOXHXLAL-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.24
Rot. Bonds6

About methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107775811) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
PubChem CID107775811
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Namemethyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CSCC1(CC(=O)OC)CC1
InChIInChI=1S/C10H16O4S/c1-13-8(11)5-10(3-4-10)7-15-6-9(12)14-2/h3-7H2,1-2H3
InChIKeyGETFUFGOXHXLAL-UHFFFAOYSA-N
XLogP1.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate (CID 107775811) is methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate is COC(=O)CSCC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is GETFUFGOXHXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-13-8(11)5-10(3-4-10)7-15-6-9(12)14-2/h3-7H2,1-2H3.
What are the key properties of methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 232.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-methoxy-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107775811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).