1-ethylsulfonylbicyclo[2.2.2]octan-2-ol

C10H18O3S — CID 130431716

IUPAC1-ethylsulfonylbicyclo[2.2.2]octan-2-ol
SMILESCCS(=O)(=O)C12CCC(CC1)CC2O
InChIInChI=1S/C10H18O3S/c1-2-14(12,13)10-5-3-8(4-6-10)7-9(10)11/h8-9,11H,2-7H2,1H3
InChIKeyNKIOSALCSCPCLQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.11
Rot. Bonds2

About 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol

1-ethylsulfonylbicyclo[2.2.2]octan-2-ol (PubChem CID 130431716) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name1-ethylsulfonylbicyclo[2.2.2]octan-2-ol
PubChem CID130431716
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-ethylsulfonylbicyclo[2.2.2]octan-2-ol
SMILESCCS(=O)(=O)C12CCC(CC1)CC2O
InChIInChI=1S/C10H18O3S/c1-2-14(12,13)10-5-3-8(4-6-10)7-9(10)11/h8-9,11H,2-7H2,1H3
InChIKeyNKIOSALCSCPCLQ-UHFFFAOYSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol (CID 130431716) is 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol is CCS(=O)(=O)C12CCC(CC1)CC2O.
What is the InChIKey of 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol?
The InChIKey is NKIOSALCSCPCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-2-14(12,13)10-5-3-8(4-6-10)7-9(10)11/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol?
1-ethylsulfonylbicyclo[2.2.2]octan-2-ol has a molecular weight of 218.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 130431716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).