4-ethyl-4-propyloxathietane 2,2-dioxide

C7H14O3S — CID 134994394

IUPAC4-ethyl-4-propyloxathietane 2,2-dioxide
SMILESCCCC1(CC)CS(=O)(=O)O1
InChIInChI=1S/C7H14O3S/c1-3-5-7(4-2)6-11(8,9)10-7/h3-6H2,1-2H3
InChIKeyFRVVPTLLWBEOSF-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.30
Rot. Bonds3

About 4-ethyl-4-propyloxathietane 2,2-dioxide

4-ethyl-4-propyloxathietane 2,2-dioxide (PubChem CID 134994394) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 4-ethyl-4-propyloxathietane 2,2-dioxide.

Molecular Properties

Compound Name4-ethyl-4-propyloxathietane 2,2-dioxide
PubChem CID134994394
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name4-ethyl-4-propyloxathietane 2,2-dioxide
SMILESCCCC1(CC)CS(=O)(=O)O1
InChIInChI=1S/C7H14O3S/c1-3-5-7(4-2)6-11(8,9)10-7/h3-6H2,1-2H3
InChIKeyFRVVPTLLWBEOSF-UHFFFAOYSA-N
XLogP1.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-propyloxathietane 2,2-dioxide
CID 134926282
2-ethyl-4-methyl-2-propylmorpholine
CID 166075483
4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 146263627
5,5-dipropyloxolane-2,3-dione
CID 54270055
2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286
2-hexyl-2-propyloxirane
CID 139691135
3,3-dipentylthietane 1,1-dioxide
CID 67570441
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
CID 172625552
3-amino-5,5-dipropyloxolan-2-one
CID 14320934
ethyl 6,6-dioxo-2-propyl-1-oxa-6λ6-thiaspiro[2.4]heptane-2-carboxylate
CID 83046824
4-ethyl-4-propyloxane
CID 142221834

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-propyloxathietane 2,2-dioxide?
The IUPAC name of 4-ethyl-4-propyloxathietane 2,2-dioxide (CID 134994394) is 4-ethyl-4-propyloxathietane 2,2-dioxide.
What is the SMILES notation for 4-ethyl-4-propyloxathietane 2,2-dioxide?
The canonical SMILES for 4-ethyl-4-propyloxathietane 2,2-dioxide is CCCC1(CC)CS(=O)(=O)O1.
What is the InChIKey of 4-ethyl-4-propyloxathietane 2,2-dioxide?
The InChIKey is FRVVPTLLWBEOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-3-5-7(4-2)6-11(8,9)10-7/h3-6H2,1-2H3.
What are the key properties of 4-ethyl-4-propyloxathietane 2,2-dioxide?
4-ethyl-4-propyloxathietane 2,2-dioxide has a molecular weight of 178.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-propyloxathietane 2,2-dioxide is sourced from PubChem (CID 134994394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).