1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane

C16H26OS — CID 54365797

IUPAC1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane
SMILESC=C(C1CCCCC1)S(=O)C(=C)C1CCCCC1
InChIInChI=1S/C16H26OS/c1-13(15-9-5-3-6-10-15)18(17)14(2)16-11-7-4-8-12-16/h15-16H,1-12H2
InChIKeyUPRJQYQQCQUYTJ-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.92
Rot. Bonds4

About 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane

1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane (PubChem CID 54365797) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane.

Molecular Properties

Compound Name1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane
PubChem CID54365797
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane
SMILESC=C(C1CCCCC1)S(=O)C(=C)C1CCCCC1
InChIInChI=1S/C16H26OS/c1-13(15-9-5-3-6-10-15)18(17)14(2)16-11-7-4-8-12-16/h15-16H,1-12H2
InChIKeyUPRJQYQQCQUYTJ-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane?
The IUPAC name of 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane (CID 54365797) is 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane.
What is the SMILES notation for 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane?
The canonical SMILES for 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane is C=C(C1CCCCC1)S(=O)C(=C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane?
The InChIKey is UPRJQYQQCQUYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-13(15-9-5-3-6-10-15)18(17)14(2)16-11-7-4-8-12-16/h15-16H,1-12H2.
What are the key properties of 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane?
1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane has a molecular weight of 266.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane is sourced from PubChem (CID 54365797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).