1-octylsulfonylnonane

C17H36O2S — CID 19089492

IUPAC1-octylsulfonylnonane
SMILESCCCCCCCCCS(=O)(=O)CCCCCCCC
InChIInChI=1S/C17H36O2S/c1-3-5-7-9-11-13-15-17-20(18,19)16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeySRTYYGNGYWDSKW-UHFFFAOYSA-N
MW304.54 g/mol
LogP5.51
Rot. Bonds15

About 1-octylsulfonylnonane

1-octylsulfonylnonane (PubChem CID 19089492) has the molecular formula C17H36O2S and a molecular weight of 304.54 g/mol. Its IUPAC name is 1-octylsulfonylnonane.

Molecular Properties

Compound Name1-octylsulfonylnonane
PubChem CID19089492
Molecular FormulaC17H36O2S
Molecular Weight304.54 g/mol
Exact Mass304.24
IUPAC Name1-octylsulfonylnonane
SMILESCCCCCCCCCS(=O)(=O)CCCCCCCC
InChIInChI=1S/C17H36O2S/c1-3-5-7-9-11-13-15-17-20(18,19)16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeySRTYYGNGYWDSKW-UHFFFAOYSA-N
XLogP5.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonylheptane
CID 19089519
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-(4-bromobutylsulfonyl)octane
CID 12518319
octylsulfonylmethanol
CID 71381698
1-(fluoromethylsulfonyl)octane
CID 177406773
1-(chloromethylsulfonyl)octane
CID 4612846
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
5-butylsulfonylpentan-1-amine
CID 64698649
3-hexacosylsulfonylpropanoic acid
CID 174440164

Frequently Asked Questions

What is the IUPAC name of 1-octylsulfonylnonane?
The IUPAC name of 1-octylsulfonylnonane (CID 19089492) is 1-octylsulfonylnonane.
What is the SMILES notation for 1-octylsulfonylnonane?
The canonical SMILES for 1-octylsulfonylnonane is CCCCCCCCCS(=O)(=O)CCCCCCCC.
What is the InChIKey of 1-octylsulfonylnonane?
The InChIKey is SRTYYGNGYWDSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2S/c1-3-5-7-9-11-13-15-17-20(18,19)16-14-12-10-8-6-4-2/h3-17H2,1-2H3.
What are the key properties of 1-octylsulfonylnonane?
1-octylsulfonylnonane has a molecular weight of 304.54 g/mol, XLogP of 5.51, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylsulfonylnonane is sourced from PubChem (CID 19089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).