1-methyl-4-non-8-enylsulfonylcyclohexane

C16H30O2S — CID 23466701

IUPAC1-methyl-4-non-8-enylsulfonylcyclohexane
SMILESC=CCCCCCCCS(=O)(=O)C1CCC(C)CC1
InChIInChI=1S/C16H30O2S/c1-3-4-5-6-7-8-9-14-19(17,18)16-12-10-15(2)11-13-16/h3,15-16H,1,4-14H2,2H3
InChIKeyDLXUJTDHSVSODX-UHFFFAOYSA-N
MW286.48 g/mol
LogP4.51
Rot. Bonds9

About 1-methyl-4-non-8-enylsulfonylcyclohexane

1-methyl-4-non-8-enylsulfonylcyclohexane (PubChem CID 23466701) has the molecular formula C16H30O2S and a molecular weight of 286.48 g/mol. Its IUPAC name is 1-methyl-4-non-8-enylsulfonylcyclohexane.

Molecular Properties

Compound Name1-methyl-4-non-8-enylsulfonylcyclohexane
PubChem CID23466701
Molecular FormulaC16H30O2S
Molecular Weight286.48 g/mol
Exact Mass286.20
IUPAC Name1-methyl-4-non-8-enylsulfonylcyclohexane
SMILESC=CCCCCCCCS(=O)(=O)C1CCC(C)CC1
InChIInChI=1S/C16H30O2S/c1-3-4-5-6-7-8-9-14-19(17,18)16-12-10-15(2)11-13-16/h3,15-16H,1,4-14H2,2H3
InChIKeyDLXUJTDHSVSODX-UHFFFAOYSA-N
XLogP4.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-non-8-enylsulfonylcyclohexane?
The IUPAC name of 1-methyl-4-non-8-enylsulfonylcyclohexane (CID 23466701) is 1-methyl-4-non-8-enylsulfonylcyclohexane.
What is the SMILES notation for 1-methyl-4-non-8-enylsulfonylcyclohexane?
The canonical SMILES for 1-methyl-4-non-8-enylsulfonylcyclohexane is C=CCCCCCCCS(=O)(=O)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-non-8-enylsulfonylcyclohexane?
The InChIKey is DLXUJTDHSVSODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2S/c1-3-4-5-6-7-8-9-14-19(17,18)16-12-10-15(2)11-13-16/h3,15-16H,1,4-14H2,2H3.
What are the key properties of 1-methyl-4-non-8-enylsulfonylcyclohexane?
1-methyl-4-non-8-enylsulfonylcyclohexane has a molecular weight of 286.48 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-non-8-enylsulfonylcyclohexane is sourced from PubChem (CID 23466701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).