2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate

C10H16O4S — CID 52542578

IUPAC2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
SMILESCC(C)COC(=O)C[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1
InChIKeyRZUKZKGHEDZMNQ-VIFPVBQESA-N
MW232.30 g/mol
LogP1.13
Rot. Bonds4

About 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate

2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate (PubChem CID 52542578) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
PubChem CID52542578
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
SMILESCC(C)COC(=O)C[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1
InChIKeyRZUKZKGHEDZMNQ-VIFPVBQESA-N
XLogP1.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate?
The IUPAC name of 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate (CID 52542578) is 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate?
The canonical SMILES for 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate is CC(C)COC(=O)C[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate?
The InChIKey is RZUKZKGHEDZMNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate?
2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate has a molecular weight of 232.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate is sourced from PubChem (CID 52542578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).