1-ethylsulfonyl-4-methylidenecyclohexane

C9H16O2S — CID 90906328

IUPAC1-ethylsulfonyl-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CC)CC1
InChIInChI=1S/C9H16O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h9H,2-7H2,1H3
InChIKeyYAPJWSZCFQABOJ-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.92
Rot. Bonds2

About 1-ethylsulfonyl-4-methylidenecyclohexane

1-ethylsulfonyl-4-methylidenecyclohexane (PubChem CID 90906328) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethylsulfonyl-4-methylidenecyclohexane
PubChem CID90906328
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name1-ethylsulfonyl-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CC)CC1
InChIInChI=1S/C9H16O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h9H,2-7H2,1H3
InChIKeyYAPJWSZCFQABOJ-UHFFFAOYSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylsulfonyl-4-methylidenecyclohexane?
The IUPAC name of 1-ethylsulfonyl-4-methylidenecyclohexane (CID 90906328) is 1-ethylsulfonyl-4-methylidenecyclohexane.
What is the SMILES notation for 1-ethylsulfonyl-4-methylidenecyclohexane?
The canonical SMILES for 1-ethylsulfonyl-4-methylidenecyclohexane is C=C1CCC(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-methylidenecyclohexane?
The InChIKey is YAPJWSZCFQABOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h9H,2-7H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-methylidenecyclohexane?
1-ethylsulfonyl-4-methylidenecyclohexane has a molecular weight of 188.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-methylidenecyclohexane is sourced from PubChem (CID 90906328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).