1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol

C10H20O4S — CID 115780261

IUPAC1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCC1CCOC1C(O)CCCS(C)(=O)=O
InChIInChI=1S/C10H20O4S/c1-8-5-6-14-10(8)9(11)4-3-7-15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyRYYGISYXFJNARR-UHFFFAOYSA-N
MW236.33 g/mol
LogP0.60
Rot. Bonds5

About 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol

1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 115780261) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID115780261
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCC1CCOC1C(O)CCCS(C)(=O)=O
InChIInChI=1S/C10H20O4S/c1-8-5-6-14-10(8)9(11)4-3-7-15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyRYYGISYXFJNARR-UHFFFAOYSA-N
XLogP0.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol (CID 115780261) is 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol is CC1CCOC1C(O)CCCS(C)(=O)=O.
What is the InChIKey of 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is RYYGISYXFJNARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-8-5-6-14-10(8)9(11)4-3-7-15(2,12)13/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol?
1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 236.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 115780261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).