3-ethylsulfonyl-3-(methoxymethyl)pentane

C9H20O3S — CID 88883854

IUPAC3-ethylsulfonyl-3-(methoxymethyl)pentane
SMILESCCC(CC)(COC)S(=O)(=O)CC
InChIInChI=1S/C9H20O3S/c1-5-9(6-2,8-12-4)13(10,11)7-3/h5-8H2,1-4H3
InChIKeyLDJLDHBGTUZDLX-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.63
Rot. Bonds6

About 3-ethylsulfonyl-3-(methoxymethyl)pentane

3-ethylsulfonyl-3-(methoxymethyl)pentane (PubChem CID 88883854) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 3-ethylsulfonyl-3-(methoxymethyl)pentane.

Molecular Properties

Compound Name3-ethylsulfonyl-3-(methoxymethyl)pentane
PubChem CID88883854
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name3-ethylsulfonyl-3-(methoxymethyl)pentane
SMILESCCC(CC)(COC)S(=O)(=O)CC
InChIInChI=1S/C9H20O3S/c1-5-9(6-2,8-12-4)13(10,11)7-3/h5-8H2,1-4H3
InChIKeyLDJLDHBGTUZDLX-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-3-(methoxymethyl)pentane?
The IUPAC name of 3-ethylsulfonyl-3-(methoxymethyl)pentane (CID 88883854) is 3-ethylsulfonyl-3-(methoxymethyl)pentane.
What is the SMILES notation for 3-ethylsulfonyl-3-(methoxymethyl)pentane?
The canonical SMILES for 3-ethylsulfonyl-3-(methoxymethyl)pentane is CCC(CC)(COC)S(=O)(=O)CC.
What is the InChIKey of 3-ethylsulfonyl-3-(methoxymethyl)pentane?
The InChIKey is LDJLDHBGTUZDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-5-9(6-2,8-12-4)13(10,11)7-3/h5-8H2,1-4H3.
What are the key properties of 3-ethylsulfonyl-3-(methoxymethyl)pentane?
3-ethylsulfonyl-3-(methoxymethyl)pentane has a molecular weight of 208.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-3-(methoxymethyl)pentane is sourced from PubChem (CID 88883854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).