1-butylsulfinyl-3-ethoxypropan-2-ol

C9H20O3S — CID 2842988

IUPAC1-butylsulfinyl-3-ethoxypropan-2-ol
SMILESCCCCS(=O)CC(O)COCC
InChIInChI=1S/C9H20O3S/c1-3-5-6-13(11)8-9(10)7-12-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDPIGWMFASUYUAJ-UHFFFAOYSA-N
MW208.32 g/mol
LogP0.93
Rot. Bonds8

About 1-butylsulfinyl-3-ethoxypropan-2-ol

1-butylsulfinyl-3-ethoxypropan-2-ol (PubChem CID 2842988) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-butylsulfinyl-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-butylsulfinyl-3-ethoxypropan-2-ol
PubChem CID2842988
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name1-butylsulfinyl-3-ethoxypropan-2-ol
SMILESCCCCS(=O)CC(O)COCC
InChIInChI=1S/C9H20O3S/c1-3-5-6-13(11)8-9(10)7-12-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDPIGWMFASUYUAJ-UHFFFAOYSA-N
XLogP0.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfinyl-3-ethoxypropan-2-ol?
The IUPAC name of 1-butylsulfinyl-3-ethoxypropan-2-ol (CID 2842988) is 1-butylsulfinyl-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-butylsulfinyl-3-ethoxypropan-2-ol?
The canonical SMILES for 1-butylsulfinyl-3-ethoxypropan-2-ol is CCCCS(=O)CC(O)COCC.
What is the InChIKey of 1-butylsulfinyl-3-ethoxypropan-2-ol?
The InChIKey is DPIGWMFASUYUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-3-5-6-13(11)8-9(10)7-12-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-butylsulfinyl-3-ethoxypropan-2-ol?
1-butylsulfinyl-3-ethoxypropan-2-ol has a molecular weight of 208.32 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfinyl-3-ethoxypropan-2-ol is sourced from PubChem (CID 2842988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).