2-cyclopropyl-5-ethylsulfonylpentan-2-ol

C10H20O3S — CID 65147052

IUPAC2-cyclopropyl-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(C)(O)C1CC1
InChIInChI=1S/C10H20O3S/c1-3-14(12,13)8-4-7-10(2,11)9-5-6-9/h9,11H,3-8H2,1-2H3
InChIKeyMLMIOYGGXUKACR-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.36
Rot. Bonds6

About 2-cyclopropyl-5-ethylsulfonylpentan-2-ol

2-cyclopropyl-5-ethylsulfonylpentan-2-ol (PubChem CID 65147052) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethylsulfonylpentan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-5-ethylsulfonylpentan-2-ol
PubChem CID65147052
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-cyclopropyl-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(C)(O)C1CC1
InChIInChI=1S/C10H20O3S/c1-3-14(12,13)8-4-7-10(2,11)9-5-6-9/h9,11H,3-8H2,1-2H3
InChIKeyMLMIOYGGXUKACR-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethylsulfonylpentan-2-ol?
The IUPAC name of 2-cyclopropyl-5-ethylsulfonylpentan-2-ol (CID 65147052) is 2-cyclopropyl-5-ethylsulfonylpentan-2-ol.
What is the SMILES notation for 2-cyclopropyl-5-ethylsulfonylpentan-2-ol?
The canonical SMILES for 2-cyclopropyl-5-ethylsulfonylpentan-2-ol is CCS(=O)(=O)CCCC(C)(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-5-ethylsulfonylpentan-2-ol?
The InChIKey is MLMIOYGGXUKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-3-14(12,13)8-4-7-10(2,11)9-5-6-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-ethylsulfonylpentan-2-ol?
2-cyclopropyl-5-ethylsulfonylpentan-2-ol has a molecular weight of 220.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethylsulfonylpentan-2-ol is sourced from PubChem (CID 65147052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).