3-octylsulfinylpropan-1-ol

C11H24O2S — CID 5302357

IUPAC3-octylsulfinylpropan-1-ol
SMILESCCCCCCCCS(=O)CCCO
InChIInChI=1S/C11H24O2S/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h12H,2-11H2,1H3
InChIKeyMBWCEVJTUZHUBM-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.48
Rot. Bonds10

About 3-octylsulfinylpropan-1-ol

3-octylsulfinylpropan-1-ol (PubChem CID 5302357) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 3-octylsulfinylpropan-1-ol.

Molecular Properties

Compound Name3-octylsulfinylpropan-1-ol
PubChem CID5302357
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name3-octylsulfinylpropan-1-ol
SMILESCCCCCCCCS(=O)CCCO
InChIInChI=1S/C11H24O2S/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h12H,2-11H2,1H3
InChIKeyMBWCEVJTUZHUBM-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-octylsulfinylpropan-1-ol?
The IUPAC name of 3-octylsulfinylpropan-1-ol (CID 5302357) is 3-octylsulfinylpropan-1-ol.
What is the SMILES notation for 3-octylsulfinylpropan-1-ol?
The canonical SMILES for 3-octylsulfinylpropan-1-ol is CCCCCCCCS(=O)CCCO.
What is the InChIKey of 3-octylsulfinylpropan-1-ol?
The InChIKey is MBWCEVJTUZHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h12H,2-11H2,1H3.
What are the key properties of 3-octylsulfinylpropan-1-ol?
3-octylsulfinylpropan-1-ol has a molecular weight of 220.38 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octylsulfinylpropan-1-ol is sourced from PubChem (CID 5302357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).