5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione

C16H24O4S — CID 11335954

IUPAC5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
SMILESCSC(C)CC1OC(=O)C(C(=O)C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C16H24O4S/c1-8(21-6)7-9-11(17)10(14(19)20-9)12(18)13-15(2,3)16(13,4)5/h8-10,13H,7H2,1-6H3
InChIKeyTVPKYDSXXGHYOF-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.49
Rot. Bonds5

About 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione

5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione (PubChem CID 11335954) has the molecular formula C16H24O4S and a molecular weight of 312.43 g/mol. Its IUPAC name is 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione.

Molecular Properties

Compound Name5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
PubChem CID11335954
Molecular FormulaC16H24O4S
Molecular Weight312.43 g/mol
Exact Mass312.14
IUPAC Name5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
SMILESCSC(C)CC1OC(=O)C(C(=O)C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C16H24O4S/c1-8(21-6)7-9-11(17)10(14(19)20-9)12(18)13-15(2,3)16(13,4)5/h8-10,13H,7H2,1-6H3
InChIKeyTVPKYDSXXGHYOF-UHFFFAOYSA-N
XLogP2.49
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione with MolForge

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Related Compounds

3-(Cyclopropanecarbonyl)-5-(2-methylsulfanylpropyl)oxolane-2,4-dione
CID 11276882
3-(4-Cyclohexylbutanoyl)-5-(2-methylsulfanylpropyl)oxolane-2,4-dione
CID 11279257
5-(2-Methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
CID 11334997
3-(3-Methylsulfanylpropanoyl)-5-(2-methylsulfanylpropyl)oxolane-2,4-dione
CID 11335267
3-(2-Cyclohexylacetyl)-5-(2-methylsulfanylpropyl)oxolane-2,4-dione
CID 11472444
3-(Cyclohexanecarbonyl)-5-(2-methylsulfanylpropyl)oxolane-2,4-dione
CID 11483391
5-(2-Methylpropyl)-3-(3-methylsulfanylpropanoyl)oxolane-2,4-dione
CID 11737017
3-(4-Tert-butylcyclohexanecarbonyl)-5-(2-methylsulfanylpropyl)oxolane-2,4-dione
CID 11772630

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
The IUPAC name of 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione (CID 11335954) is 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione.
What is the SMILES notation for 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
The canonical SMILES for 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione is CSC(C)CC1OC(=O)C(C(=O)C2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
The InChIKey is TVPKYDSXXGHYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4S/c1-8(21-6)7-9-11(17)10(14(19)20-9)12(18)13-15(2,3)16(13,4)5/h8-10,13H,7H2,1-6H3.
What are the key properties of 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione has a molecular weight of 312.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione is sourced from PubChem (CID 11335954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).