3-ethyl-3-(2-methylpropylsulfonyl)pentane

C11H24O2S — CID 58814812

IUPAC3-ethyl-3-(2-methylpropylsulfonyl)pentane
SMILESCCC(CC)(CC)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H24O2S/c1-6-11(7-2,8-3)14(12,13)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyLEGAQCHQWGJJGF-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.03
Rot. Bonds6

About 3-ethyl-3-(2-methylpropylsulfonyl)pentane

3-ethyl-3-(2-methylpropylsulfonyl)pentane (PubChem CID 58814812) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylpropylsulfonyl)pentane.

Molecular Properties

Compound Name3-ethyl-3-(2-methylpropylsulfonyl)pentane
PubChem CID58814812
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name3-ethyl-3-(2-methylpropylsulfonyl)pentane
SMILESCCC(CC)(CC)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H24O2S/c1-6-11(7-2,8-3)14(12,13)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyLEGAQCHQWGJJGF-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylpropylsulfonyl)pentane?
The IUPAC name of 3-ethyl-3-(2-methylpropylsulfonyl)pentane (CID 58814812) is 3-ethyl-3-(2-methylpropylsulfonyl)pentane.
What is the SMILES notation for 3-ethyl-3-(2-methylpropylsulfonyl)pentane?
The canonical SMILES for 3-ethyl-3-(2-methylpropylsulfonyl)pentane is CCC(CC)(CC)S(=O)(=O)CC(C)C.
What is the InChIKey of 3-ethyl-3-(2-methylpropylsulfonyl)pentane?
The InChIKey is LEGAQCHQWGJJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-6-11(7-2,8-3)14(12,13)9-10(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-3-(2-methylpropylsulfonyl)pentane?
3-ethyl-3-(2-methylpropylsulfonyl)pentane has a molecular weight of 220.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylpropylsulfonyl)pentane is sourced from PubChem (CID 58814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).