diethyl-oxo-dipropoxy-λ6-sulfane

C10H24O3S — CID 91071674

IUPACdiethyl-oxo-dipropoxy-λ6-sulfane
SMILESCCCOS(=O)(CC)(CC)OCCC
InChIInChI=1S/C10H24O3S/c1-5-9-12-14(11,7-3,8-4)13-10-6-2/h5-10H2,1-4H3
InChIKeyBQIOIVJHGQAAQC-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.53
Rot. Bonds8

About diethyl-oxo-dipropoxy-λ6-sulfane

diethyl-oxo-dipropoxy-λ6-sulfane (PubChem CID 91071674) has the molecular formula C10H24O3S and a molecular weight of 224.37 g/mol. Its IUPAC name is diethyl-oxo-dipropoxy-λ6-sulfane.

Molecular Properties

Compound Namediethyl-oxo-dipropoxy-λ6-sulfane
PubChem CID91071674
Molecular FormulaC10H24O3S
Molecular Weight224.37 g/mol
Exact Mass224.14
IUPAC Namediethyl-oxo-dipropoxy-λ6-sulfane
SMILESCCCOS(=O)(CC)(CC)OCCC
InChIInChI=1S/C10H24O3S/c1-5-9-12-14(11,7-3,8-4)13-10-6-2/h5-10H2,1-4H3
InChIKeyBQIOIVJHGQAAQC-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl-oxo-dipropoxy-λ6-sulfane?
The IUPAC name of diethyl-oxo-dipropoxy-λ6-sulfane (CID 91071674) is diethyl-oxo-dipropoxy-λ6-sulfane.
What is the SMILES notation for diethyl-oxo-dipropoxy-λ6-sulfane?
The canonical SMILES for diethyl-oxo-dipropoxy-λ6-sulfane is CCCOS(=O)(CC)(CC)OCCC.
What is the InChIKey of diethyl-oxo-dipropoxy-λ6-sulfane?
The InChIKey is BQIOIVJHGQAAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3S/c1-5-9-12-14(11,7-3,8-4)13-10-6-2/h5-10H2,1-4H3.
What are the key properties of diethyl-oxo-dipropoxy-λ6-sulfane?
diethyl-oxo-dipropoxy-λ6-sulfane has a molecular weight of 224.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-oxo-dipropoxy-λ6-sulfane is sourced from PubChem (CID 91071674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).