2-(2-tert-butylsulfonylethyl)pentanoic acid

C11H22O4S — CID 106727777

IUPAC2-(2-tert-butylsulfonylethyl)pentanoic acid
SMILESCCCC(CCS(=O)(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O4S/c1-5-6-9(10(12)13)7-8-16(14,15)11(2,3)4/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyGGCNRGXMJXUPIW-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.09
Rot. Bonds6

About 2-(2-tert-butylsulfonylethyl)pentanoic acid

2-(2-tert-butylsulfonylethyl)pentanoic acid (PubChem CID 106727777) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)pentanoic acid.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)pentanoic acid
PubChem CID106727777
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name2-(2-tert-butylsulfonylethyl)pentanoic acid
SMILESCCCC(CCS(=O)(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O4S/c1-5-6-9(10(12)13)7-8-16(14,15)11(2,3)4/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyGGCNRGXMJXUPIW-UHFFFAOYSA-N
XLogP2.09
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
CID 106736073
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
2-propylhexadecanoic acid
CID 10040360
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-propylheptadecanoic acid
CID 22251985
4-tert-butylsulfonyl-2-methoxycarbonylbutanoic acid
CID 106736002
3-(2-tert-butylsulfonylethyl)-5-chloropentan-2-one
CID 106729211
formic acid;2-propylpentanoic acid
CID 87531584

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethyl)pentanoic acid?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)pentanoic acid (CID 106727777) is 2-(2-tert-butylsulfonylethyl)pentanoic acid.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)pentanoic acid?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)pentanoic acid is CCCC(CCS(=O)(=O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)pentanoic acid?
The InChIKey is GGCNRGXMJXUPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-5-6-9(10(12)13)7-8-16(14,15)11(2,3)4/h9H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 2-(2-tert-butylsulfonylethyl)pentanoic acid?
2-(2-tert-butylsulfonylethyl)pentanoic acid has a molecular weight of 250.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)pentanoic acid is sourced from PubChem (CID 106727777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).