1-ethenylsulfonylcyclohexene

C8H12O2S — CID 67229963

IUPAC1-ethenylsulfonylcyclohexene
SMILESC=CS(=O)(=O)C1=CCCCC1
InChIInChI=1S/C8H12O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2,6H,1,3-5,7H2
InChIKeyXPBMQRXDPSCBBL-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.00
Rot. Bonds2

About 1-ethenylsulfonylcyclohexene

1-ethenylsulfonylcyclohexene (PubChem CID 67229963) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-ethenylsulfonylcyclohexene.

Molecular Properties

Compound Name1-ethenylsulfonylcyclohexene
PubChem CID67229963
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name1-ethenylsulfonylcyclohexene
SMILESC=CS(=O)(=O)C1=CCCCC1
InChIInChI=1S/C8H12O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2,6H,1,3-5,7H2
InChIKeyXPBMQRXDPSCBBL-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonylcyclohexene?
The IUPAC name of 1-ethenylsulfonylcyclohexene (CID 67229963) is 1-ethenylsulfonylcyclohexene.
What is the SMILES notation for 1-ethenylsulfonylcyclohexene?
The canonical SMILES for 1-ethenylsulfonylcyclohexene is C=CS(=O)(=O)C1=CCCCC1.
What is the InChIKey of 1-ethenylsulfonylcyclohexene?
The InChIKey is XPBMQRXDPSCBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2,6H,1,3-5,7H2.
What are the key properties of 1-ethenylsulfonylcyclohexene?
1-ethenylsulfonylcyclohexene has a molecular weight of 172.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylcyclohexene is sourced from PubChem (CID 67229963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).