1-butylsulfinyl-3-propan-2-yloxypropan-2-ol

C10H22O3S — CID 2842570

IUPAC1-butylsulfinyl-3-propan-2-yloxypropan-2-ol
SMILESCCCCS(=O)CC(O)COC(C)C
InChIInChI=1S/C10H22O3S/c1-4-5-6-14(12)8-10(11)7-13-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyWMNKPFNAZYRCAB-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.32
Rot. Bonds8

About 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol

1-butylsulfinyl-3-propan-2-yloxypropan-2-ol (PubChem CID 2842570) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-butylsulfinyl-3-propan-2-yloxypropan-2-ol
PubChem CID2842570
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name1-butylsulfinyl-3-propan-2-yloxypropan-2-ol
SMILESCCCCS(=O)CC(O)COC(C)C
InChIInChI=1S/C10H22O3S/c1-4-5-6-14(12)8-10(11)7-13-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyWMNKPFNAZYRCAB-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol (CID 2842570) is 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol is CCCCS(=O)CC(O)COC(C)C.
What is the InChIKey of 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol?
The InChIKey is WMNKPFNAZYRCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-4-5-6-14(12)8-10(11)7-13-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol?
1-butylsulfinyl-3-propan-2-yloxypropan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfinyl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 2842570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).