1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane

C16H26OS — CID 154102427

IUPAC1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane
SMILESC=CC1CCC(S(=O)C2CCC(C=C)CC2)CC1
InChIInChI=1S/C16H26OS/c1-3-13-5-9-15(10-6-13)18(17)16-11-7-14(4-2)8-12-16/h3-4,13-16H,1-2,5-12H2
InChIKeyNCWWELYEVKCKRT-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.22
Rot. Bonds4

About 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane

1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane (PubChem CID 154102427) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane
PubChem CID154102427
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane
SMILESC=CC1CCC(S(=O)C2CCC(C=C)CC2)CC1
InChIInChI=1S/C16H26OS/c1-3-13-5-9-15(10-6-13)18(17)16-11-7-14(4-2)8-12-16/h3-4,13-16H,1-2,5-12H2
InChIKeyNCWWELYEVKCKRT-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane?
The IUPAC name of 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane (CID 154102427) is 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane.
What is the SMILES notation for 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane?
The canonical SMILES for 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane is C=CC1CCC(S(=O)C2CCC(C=C)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane?
The InChIKey is NCWWELYEVKCKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-3-13-5-9-15(10-6-13)18(17)16-11-7-14(4-2)8-12-16/h3-4,13-16H,1-2,5-12H2.
What are the key properties of 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane?
1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane has a molecular weight of 266.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane is sourced from PubChem (CID 154102427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).