1-(nonylsulfonylmethylsulfonyl)nonane

C19H40O4S2 — CID 139912693

IUPAC1-(nonylsulfonylmethylsulfonyl)nonane
SMILESCCCCCCCCCS(=O)(=O)CS(=O)(=O)CCCCCCCCC
InChIInChI=1S/C19H40O4S2/c1-3-5-7-9-11-13-15-17-24(20,21)19-25(22,23)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKeyHAMHWQCJIJIFEG-UHFFFAOYSA-N
MW396.66 g/mol
LogP5.27
Rot. Bonds18

About 1-(nonylsulfonylmethylsulfonyl)nonane

1-(nonylsulfonylmethylsulfonyl)nonane (PubChem CID 139912693) has the molecular formula C19H40O4S2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 1-(nonylsulfonylmethylsulfonyl)nonane.

Molecular Properties

Compound Name1-(nonylsulfonylmethylsulfonyl)nonane
PubChem CID139912693
Molecular FormulaC19H40O4S2
Molecular Weight396.66 g/mol
Exact Mass396.24
IUPAC Name1-(nonylsulfonylmethylsulfonyl)nonane
SMILESCCCCCCCCCS(=O)(=O)CS(=O)(=O)CCCCCCCCC
InChIInChI=1S/C19H40O4S2/c1-3-5-7-9-11-13-15-17-24(20,21)19-25(22,23)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKeyHAMHWQCJIJIFEG-UHFFFAOYSA-N
XLogP5.27
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 55.27
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-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
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
1-(4-bromobutylsulfonyl)octane
CID 12518319
1-(chloromethylsulfonyl)pentane
CID 87296417
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of 1-(nonylsulfonylmethylsulfonyl)nonane?
The IUPAC name of 1-(nonylsulfonylmethylsulfonyl)nonane (CID 139912693) is 1-(nonylsulfonylmethylsulfonyl)nonane.
What is the SMILES notation for 1-(nonylsulfonylmethylsulfonyl)nonane?
The canonical SMILES for 1-(nonylsulfonylmethylsulfonyl)nonane is CCCCCCCCCS(=O)(=O)CS(=O)(=O)CCCCCCCCC.
What is the InChIKey of 1-(nonylsulfonylmethylsulfonyl)nonane?
The InChIKey is HAMHWQCJIJIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4S2/c1-3-5-7-9-11-13-15-17-24(20,21)19-25(22,23)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3.
What are the key properties of 1-(nonylsulfonylmethylsulfonyl)nonane?
1-(nonylsulfonylmethylsulfonyl)nonane has a molecular weight of 396.66 g/mol, XLogP of 5.27, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nonylsulfonylmethylsulfonyl)nonane is sourced from PubChem (CID 139912693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).