(1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone

C10H16O4S — CID 82840284

IUPAC(1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)C2CCS(=O)(=O)C2)O1
InChIInChI=1S/C10H16O4S/c1-7-2-3-9(14-7)10(11)8-4-5-15(12,13)6-8/h7-9H,2-6H2,1H3
InChIKeyVADZATXTNCCAKF-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.56
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone

(1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone (PubChem CID 82840284) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone
PubChem CID82840284
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name(1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)C2CCS(=O)(=O)C2)O1
InChIInChI=1S/C10H16O4S/c1-7-2-3-9(14-7)10(11)8-4-5-15(12,13)6-8/h7-9H,2-6H2,1H3
InChIKeyVADZATXTNCCAKF-UHFFFAOYSA-N
XLogP0.56
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone (CID 82840284) is (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)C2CCS(=O)(=O)C2)O1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is VADZATXTNCCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-7-2-3-9(14-7)10(11)8-4-5-15(12,13)6-8/h7-9H,2-6H2,1H3.
What are the key properties of (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone?
(1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 232.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 82840284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).