1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone

C9H14O4S — CID 79416899

IUPAC1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone
SMILESO=C(CC1CS(=O)(=O)CC1O)C1CC1
InChIInChI=1S/C9H14O4S/c10-8(6-1-2-6)3-7-4-14(12,13)5-9(7)11/h6-7,9,11H,1-5H2
InChIKeyHDOZPPOOFKRRPD-UHFFFAOYSA-N
MW218.27 g/mol
LogP-0.24
Rot. Bonds3

About 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone

1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone (PubChem CID 79416899) has the molecular formula C9H14O4S and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone
PubChem CID79416899
Molecular FormulaC9H14O4S
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone
SMILESO=C(CC1CS(=O)(=O)CC1O)C1CC1
InChIInChI=1S/C9H14O4S/c10-8(6-1-2-6)3-7-4-14(12,13)5-9(7)11/h6-7,9,11H,1-5H2
InChIKeyHDOZPPOOFKRRPD-UHFFFAOYSA-N
XLogP-0.24
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone (CID 79416899) is 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone is O=C(CC1CS(=O)(=O)CC1O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone?
The InChIKey is HDOZPPOOFKRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4S/c10-8(6-1-2-6)3-7-4-14(12,13)5-9(7)11/h6-7,9,11H,1-5H2.
What are the key properties of 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone?
1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone has a molecular weight of 218.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-hydroxy-1,1-dioxothiolan-3-yl)ethanone is sourced from PubChem (CID 79416899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).