5-ethylsulfonyl-2-propan-2-ylpentanoic acid

C10H20O4S — CID 65098306

IUPAC5-ethylsulfonyl-2-propan-2-ylpentanoic acid
SMILESCCS(=O)(=O)CCCC(C(=O)O)C(C)C
InChIInChI=1S/C10H20O4S/c1-4-15(13,14)7-5-6-9(8(2)3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyNNNPZRBCHVDBLE-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.56
Rot. Bonds7

About 5-ethylsulfonyl-2-propan-2-ylpentanoic acid

5-ethylsulfonyl-2-propan-2-ylpentanoic acid (PubChem CID 65098306) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name5-ethylsulfonyl-2-propan-2-ylpentanoic acid
PubChem CID65098306
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name5-ethylsulfonyl-2-propan-2-ylpentanoic acid
SMILESCCS(=O)(=O)CCCC(C(=O)O)C(C)C
InChIInChI=1S/C10H20O4S/c1-4-15(13,14)7-5-6-9(8(2)3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyNNNPZRBCHVDBLE-UHFFFAOYSA-N
XLogP1.56
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-propan-2-ylpentanoic acid?
The IUPAC name of 5-ethylsulfonyl-2-propan-2-ylpentanoic acid (CID 65098306) is 5-ethylsulfonyl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 5-ethylsulfonyl-2-propan-2-ylpentanoic acid?
The canonical SMILES for 5-ethylsulfonyl-2-propan-2-ylpentanoic acid is CCS(=O)(=O)CCCC(C(=O)O)C(C)C.
What is the InChIKey of 5-ethylsulfonyl-2-propan-2-ylpentanoic acid?
The InChIKey is NNNPZRBCHVDBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-4-15(13,14)7-5-6-9(8(2)3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 5-ethylsulfonyl-2-propan-2-ylpentanoic acid?
5-ethylsulfonyl-2-propan-2-ylpentanoic acid has a molecular weight of 236.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 65098306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).