1-ethylsulfonyl-4-methylpentane

C8H18O2S — CID 20755050

IUPAC1-ethylsulfonyl-4-methylpentane
SMILESCCS(=O)(=O)CCCC(C)C
InChIInChI=1S/C8H18O2S/c1-4-11(9,10)7-5-6-8(2)3/h8H,4-7H2,1-3H3
InChIKeyRGWTUZFVRNUCTG-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.86
Rot. Bonds5

About 1-ethylsulfonyl-4-methylpentane

1-ethylsulfonyl-4-methylpentane (PubChem CID 20755050) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-methylpentane.

Molecular Properties

Compound Name1-ethylsulfonyl-4-methylpentane
PubChem CID20755050
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-ethylsulfonyl-4-methylpentane
SMILESCCS(=O)(=O)CCCC(C)C
InChIInChI=1S/C8H18O2S/c1-4-11(9,10)7-5-6-8(2)3/h8H,4-7H2,1-3H3
InChIKeyRGWTUZFVRNUCTG-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-methylpentane?
The IUPAC name of 1-ethylsulfonyl-4-methylpentane (CID 20755050) is 1-ethylsulfonyl-4-methylpentane.
What is the SMILES notation for 1-ethylsulfonyl-4-methylpentane?
The canonical SMILES for 1-ethylsulfonyl-4-methylpentane is CCS(=O)(=O)CCCC(C)C.
What is the InChIKey of 1-ethylsulfonyl-4-methylpentane?
The InChIKey is RGWTUZFVRNUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-4-11(9,10)7-5-6-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4-methylpentane?
1-ethylsulfonyl-4-methylpentane has a molecular weight of 178.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-methylpentane is sourced from PubChem (CID 20755050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).