1-[2-(2-butoxyethylsulfonyl)ethoxy]butane

C12H26O4S — CID 15864747

IUPAC1-[2-(2-butoxyethylsulfonyl)ethoxy]butane
SMILESCCCCOCCS(=O)(=O)CCOCCCC
InChIInChI=1S/C12H26O4S/c1-3-5-7-15-9-11-17(13,14)12-10-16-8-6-4-2/h3-12H2,1-2H3
InChIKeyOXQDKZLJUHGFDQ-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.03
Rot. Bonds12

About 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane

1-[2-(2-butoxyethylsulfonyl)ethoxy]butane (PubChem CID 15864747) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane.

Molecular Properties

Compound Name1-[2-(2-butoxyethylsulfonyl)ethoxy]butane
PubChem CID15864747
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Name1-[2-(2-butoxyethylsulfonyl)ethoxy]butane
SMILESCCCCOCCS(=O)(=O)CCOCCCC
InChIInChI=1S/C12H26O4S/c1-3-5-7-15-9-11-17(13,14)12-10-16-8-6-4-2/h3-12H2,1-2H3
InChIKeyOXQDKZLJUHGFDQ-UHFFFAOYSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-2-(2-methoxyethanesulfonyl)ethane
CID 15150067
4-Butoxybutane-1-sulfonyl chloride
CID 64199761
Methoxypropyl sulfone
CID 87183022
Sodium 4-butoxybutane-1-sulfonate
CID 101396210
Butoxysulfolane
CID 129785244
Diethyl-oxo-dipropoxy-lambda6-sulfane
CID 91071674
Ethylmethoxy ethoxyethyl sulfone
CID 171904711
3-Fluoro-1-methoxy-3-propan-2-ylsulfonylbutane
CID 159610843
1-Ethoxy-2-[2-(2-ethoxyethylsulfonyl)ethylsulfonyl]ethane
CID 310813
1-(Butylsulfonyl)-2-[2-(butylsulfonyl)ethoxy]ethane
CID 5302369
Ethane, 2,2'-[oxybis(methylenesulfonyl)]bis[1-methoxy-
CID 91704070
2-Methoxy-1-(2-methoxypropylsulfonyl)propane
CID 316147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane?
The IUPAC name of 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane (CID 15864747) is 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane.
What is the SMILES notation for 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane?
The canonical SMILES for 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane is CCCCOCCS(=O)(=O)CCOCCCC.
What is the InChIKey of 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane?
The InChIKey is OXQDKZLJUHGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-3-5-7-15-9-11-17(13,14)12-10-16-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane?
1-[2-(2-butoxyethylsulfonyl)ethoxy]butane has a molecular weight of 266.40 g/mol, XLogP of 2.03, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethylsulfonyl)ethoxy]butane is sourced from PubChem (CID 15864747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).