1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane

C14H30O6S2 — CID 58676689

IUPAC1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
SMILESCCCCS(=O)(=O)CCOCCOCCS(=O)(=O)CCCC
InChIInChI=1S/C14H30O6S2/c1-3-5-11-21(15,16)13-9-19-7-8-20-10-14-22(17,18)12-6-4-2/h3-14H2,1-2H3
InChIKeyJAZBAZMEKBOSHU-UHFFFAOYSA-N
MW358.52 g/mol
LogP1.45
Rot. Bonds15

About 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane

1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane (PubChem CID 58676689) has the molecular formula C14H30O6S2 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane.

Molecular Properties

Compound Name1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
PubChem CID58676689
Molecular FormulaC14H30O6S2
Molecular Weight358.52 g/mol
Exact Mass358.15
IUPAC Name1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
SMILESCCCCS(=O)(=O)CCOCCOCCS(=O)(=O)CCCC
InChIInChI=1S/C14H30O6S2/c1-3-5-11-21(15,16)13-9-19-7-8-20-10-14-22(17,18)12-6-4-2/h3-14H2,1-2H3
InChIKeyJAZBAZMEKBOSHU-UHFFFAOYSA-N
XLogP1.45
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;1-butylsulfonylbutane;dichloride
CID 174621632
2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine
CID 104568967
2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride
CID 165461040
1-octylsulfonylnonane
CID 19089492
sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane
CID 142757294
3-butylsulfonylpropan-1-amine
CID 43615632
4-butylsulfonylbutyl formate
CID 56978488
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 175793636
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonate
CID 175793635
2-(2-ethylsulfonylethoxy)ethanamine
CID 62343611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane?
The IUPAC name of 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane (CID 58676689) is 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane.
What is the SMILES notation for 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane?
The canonical SMILES for 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane is CCCCS(=O)(=O)CCOCCOCCS(=O)(=O)CCCC.
What is the InChIKey of 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane?
The InChIKey is JAZBAZMEKBOSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6S2/c1-3-5-11-21(15,16)13-9-19-7-8-20-10-14-22(17,18)12-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane?
1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane has a molecular weight of 358.52 g/mol, XLogP of 1.45, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane is sourced from PubChem (CID 58676689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).