3-(ethoxymethyl)-3-ethylsulfonylpentane

C10H22O3S — CID 88883852

IUPAC3-(ethoxymethyl)-3-ethylsulfonylpentane
SMILESCCOCC(CC)(CC)S(=O)(=O)CC
InChIInChI=1S/C10H22O3S/c1-5-10(6-2,9-13-7-3)14(11,12)8-4/h5-9H2,1-4H3
InChIKeyRLQQDXPZLFEGKF-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.02
Rot. Bonds7

About 3-(ethoxymethyl)-3-ethylsulfonylpentane

3-(ethoxymethyl)-3-ethylsulfonylpentane (PubChem CID 88883852) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-ethylsulfonylpentane.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-ethylsulfonylpentane
PubChem CID88883852
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name3-(ethoxymethyl)-3-ethylsulfonylpentane
SMILESCCOCC(CC)(CC)S(=O)(=O)CC
InChIInChI=1S/C10H22O3S/c1-5-10(6-2,9-13-7-3)14(11,12)8-4/h5-9H2,1-4H3
InChIKeyRLQQDXPZLFEGKF-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-ethylsulfonylpentane?
The IUPAC name of 3-(ethoxymethyl)-3-ethylsulfonylpentane (CID 88883852) is 3-(ethoxymethyl)-3-ethylsulfonylpentane.
What is the SMILES notation for 3-(ethoxymethyl)-3-ethylsulfonylpentane?
The canonical SMILES for 3-(ethoxymethyl)-3-ethylsulfonylpentane is CCOCC(CC)(CC)S(=O)(=O)CC.
What is the InChIKey of 3-(ethoxymethyl)-3-ethylsulfonylpentane?
The InChIKey is RLQQDXPZLFEGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-5-10(6-2,9-13-7-3)14(11,12)8-4/h5-9H2,1-4H3.
What are the key properties of 3-(ethoxymethyl)-3-ethylsulfonylpentane?
3-(ethoxymethyl)-3-ethylsulfonylpentane has a molecular weight of 222.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-ethylsulfonylpentane is sourced from PubChem (CID 88883852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).