oct-7-enylsulfonylcyclohexane

C14H26O2S — CID 23466848

IUPACoct-7-enylsulfonylcyclohexane
SMILESC=CCCCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H26O2S/c1-2-3-4-5-6-10-13-17(15,16)14-11-8-7-9-12-14/h2,14H,1,3-13H2
InChIKeyMKQKPEKJVLIVRC-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.87
Rot. Bonds8

About oct-7-enylsulfonylcyclohexane

oct-7-enylsulfonylcyclohexane (PubChem CID 23466848) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is oct-7-enylsulfonylcyclohexane.

Molecular Properties

Compound Nameoct-7-enylsulfonylcyclohexane
PubChem CID23466848
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameoct-7-enylsulfonylcyclohexane
SMILESC=CCCCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H26O2S/c1-2-3-4-5-6-10-13-17(15,16)14-11-8-7-9-12-14/h2,14H,1,3-13H2
InChIKeyMKQKPEKJVLIVRC-UHFFFAOYSA-N
XLogP3.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.87
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 oct-7-enylsulfonylcyclohexane?
The IUPAC name of oct-7-enylsulfonylcyclohexane (CID 23466848) is oct-7-enylsulfonylcyclohexane.
What is the SMILES notation for oct-7-enylsulfonylcyclohexane?
The canonical SMILES for oct-7-enylsulfonylcyclohexane is C=CCCCCCCS(=O)(=O)C1CCCCC1.
What is the InChIKey of oct-7-enylsulfonylcyclohexane?
The InChIKey is MKQKPEKJVLIVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c1-2-3-4-5-6-10-13-17(15,16)14-11-8-7-9-12-14/h2,14H,1,3-13H2.
What are the key properties of oct-7-enylsulfonylcyclohexane?
oct-7-enylsulfonylcyclohexane has a molecular weight of 258.43 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enylsulfonylcyclohexane is sourced from PubChem (CID 23466848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).