5-(4-hydroxypentylsulfonyl)pentan-2-ol

C10H22O4S — CID 54071789

IUPAC5-(4-hydroxypentylsulfonyl)pentan-2-ol
SMILESCC(O)CCCS(=O)(=O)CCCC(C)O
InChIInChI=1S/C10H22O4S/c1-9(11)5-3-7-15(13,14)8-4-6-10(2)12/h9-12H,3-8H2,1-2H3
InChIKeyMGYWTZAUTXRBFI-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.72
Rot. Bonds8

About 5-(4-hydroxypentylsulfonyl)pentan-2-ol

5-(4-hydroxypentylsulfonyl)pentan-2-ol (PubChem CID 54071789) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 5-(4-hydroxypentylsulfonyl)pentan-2-ol.

Molecular Properties

Compound Name5-(4-hydroxypentylsulfonyl)pentan-2-ol
PubChem CID54071789
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name5-(4-hydroxypentylsulfonyl)pentan-2-ol
SMILESCC(O)CCCS(=O)(=O)CCCC(C)O
InChIInChI=1S/C10H22O4S/c1-9(11)5-3-7-15(13,14)8-4-6-10(2)12/h9-12H,3-8H2,1-2H3
InChIKeyMGYWTZAUTXRBFI-UHFFFAOYSA-N
XLogP0.72
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypentylsulfonyl)pentan-2-ol?
The IUPAC name of 5-(4-hydroxypentylsulfonyl)pentan-2-ol (CID 54071789) is 5-(4-hydroxypentylsulfonyl)pentan-2-ol.
What is the SMILES notation for 5-(4-hydroxypentylsulfonyl)pentan-2-ol?
The canonical SMILES for 5-(4-hydroxypentylsulfonyl)pentan-2-ol is CC(O)CCCS(=O)(=O)CCCC(C)O.
What is the InChIKey of 5-(4-hydroxypentylsulfonyl)pentan-2-ol?
The InChIKey is MGYWTZAUTXRBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-9(11)5-3-7-15(13,14)8-4-6-10(2)12/h9-12H,3-8H2,1-2H3.
What are the key properties of 5-(4-hydroxypentylsulfonyl)pentan-2-ol?
5-(4-hydroxypentylsulfonyl)pentan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypentylsulfonyl)pentan-2-ol is sourced from PubChem (CID 54071789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).