2-(5-methylsulfonyloxypentoxy)acetic acid

C8H16O6S — CID 175490607

IUPAC2-(5-methylsulfonyloxypentoxy)acetic acid
SMILESCS(=O)(=O)OCCCCCOCC(=O)O
InChIInChI=1S/C8H16O6S/c1-15(11,12)14-6-4-2-3-5-13-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyWEQROQRGUUOYKQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.23
Rot. Bonds9

About 2-(5-methylsulfonyloxypentoxy)acetic acid

2-(5-methylsulfonyloxypentoxy)acetic acid (PubChem CID 175490607) has the molecular formula C8H16O6S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(5-methylsulfonyloxypentoxy)acetic acid.

Molecular Properties

Compound Name2-(5-methylsulfonyloxypentoxy)acetic acid
PubChem CID175490607
Molecular FormulaC8H16O6S
Molecular Weight240.28 g/mol
Exact Mass240.07
IUPAC Name2-(5-methylsulfonyloxypentoxy)acetic acid
SMILESCS(=O)(=O)OCCCCCOCC(=O)O
InChIInChI=1S/C8H16O6S/c1-15(11,12)14-6-4-2-3-5-13-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyWEQROQRGUUOYKQ-UHFFFAOYSA-N
XLogP0.23
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(8-ethoxyoctoxy)acetic acid
CID 141124770
4-methylsulfonyloxybutanoic acid
CID 19373983
2-pentadecoxyacetic acid
CID 19866534
8-ethoxyoctyl methanesulfonate
CID 139711328
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
5-hydroxypentyl methanesulfonate
CID 19894604
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
sodium;2-dodecoxyacetic acid;hydride
CID 173155180

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfonyloxypentoxy)acetic acid?
The IUPAC name of 2-(5-methylsulfonyloxypentoxy)acetic acid (CID 175490607) is 2-(5-methylsulfonyloxypentoxy)acetic acid.
What is the SMILES notation for 2-(5-methylsulfonyloxypentoxy)acetic acid?
The canonical SMILES for 2-(5-methylsulfonyloxypentoxy)acetic acid is CS(=O)(=O)OCCCCCOCC(=O)O.
What is the InChIKey of 2-(5-methylsulfonyloxypentoxy)acetic acid?
The InChIKey is WEQROQRGUUOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6S/c1-15(11,12)14-6-4-2-3-5-13-7-8(9)10/h2-7H2,1H3,(H,9,10).
What are the key properties of 2-(5-methylsulfonyloxypentoxy)acetic acid?
2-(5-methylsulfonyloxypentoxy)acetic acid has a molecular weight of 240.28 g/mol, XLogP of 0.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfonyloxypentoxy)acetic acid is sourced from PubChem (CID 175490607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).