1,6-bis(ethylsulfonyl)hexane

C10H22O4S2 — CID 54565943

IUPAC1,6-bis(ethylsulfonyl)hexane
SMILESCCS(=O)(=O)CCCCCCS(=O)(=O)CC
InChIInChI=1S/C10H22O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h3-10H2,1-2H3
InChIKeyZTVADXBYYFADFO-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.42
Rot. Bonds9

About 1,6-bis(ethylsulfonyl)hexane

1,6-bis(ethylsulfonyl)hexane (PubChem CID 54565943) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1,6-bis(ethylsulfonyl)hexane.

Molecular Properties

Compound Name1,6-bis(ethylsulfonyl)hexane
PubChem CID54565943
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1,6-bis(ethylsulfonyl)hexane
SMILESCCS(=O)(=O)CCCCCCS(=O)(=O)CC
InChIInChI=1S/C10H22O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h3-10H2,1-2H3
InChIKeyZTVADXBYYFADFO-UHFFFAOYSA-N
XLogP1.42
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.42
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

1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
1-ethylsulfonylheptane
CID 19089519
5-ethylsulfonylpentan-1-ol
CID 62353355
5-ethylsulfonylpentan-1-amine
CID 54172156
1-octylsulfonylnonane
CID 19089492
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
6-ethylsulfonylhexanal
CID 65097360
octylsulfonylmethanol
CID 71381698
1-ethylsulfonyl-3-iodopropane
CID 65096893
N-tert-butyl-5-ethylsulfonylpentan-1-amine
CID 65097015

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(ethylsulfonyl)hexane?
The IUPAC name of 1,6-bis(ethylsulfonyl)hexane (CID 54565943) is 1,6-bis(ethylsulfonyl)hexane.
What is the SMILES notation for 1,6-bis(ethylsulfonyl)hexane?
The canonical SMILES for 1,6-bis(ethylsulfonyl)hexane is CCS(=O)(=O)CCCCCCS(=O)(=O)CC.
What is the InChIKey of 1,6-bis(ethylsulfonyl)hexane?
The InChIKey is ZTVADXBYYFADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h3-10H2,1-2H3.
What are the key properties of 1,6-bis(ethylsulfonyl)hexane?
1,6-bis(ethylsulfonyl)hexane has a molecular weight of 270.42 g/mol, XLogP of 1.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(ethylsulfonyl)hexane is sourced from PubChem (CID 54565943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).