3-octylsulfinylprop-1-en-1-ol

C11H22O2S — CID 173239432

IUPAC3-octylsulfinylprop-1-en-1-ol
SMILESCCCCCCCCS(=O)CC=CO
InChIInChI=1S/C11H22O2S/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyJEOWSLHZKLOZDT-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.17
Rot. Bonds9

About 3-octylsulfinylprop-1-en-1-ol

3-octylsulfinylprop-1-en-1-ol (PubChem CID 173239432) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 3-octylsulfinylprop-1-en-1-ol.

Molecular Properties

Compound Name3-octylsulfinylprop-1-en-1-ol
PubChem CID173239432
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name3-octylsulfinylprop-1-en-1-ol
SMILESCCCCCCCCS(=O)CC=CO
InChIInChI=1S/C11H22O2S/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyJEOWSLHZKLOZDT-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-heptadecylsulfinylheptadecane
CID 54059826
tetradecylsulfinylmethanol
CID 88782233
1-ethylsulfinylhexane
CID 18965294
1-ethylsulfinyloctane
CID 54141160
(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
CID 98534105
3-pentylsulfinylpropan-1-ol
CID 12518269
3-dodecylsulfinylprop-1-en-2-ol
CID 88815139
3-dodecylsulfinylpropane-1,2-diol
CID 154087122
pentadecane-1-sulfinic acid
CID 20739365
(E)-pentacos-1-en-1-ol
CID 135335589
(Z)-pentadec-1-en-1-ol
CID 135331786
1-chloro-3-octylsulfinylpropan-2-ol
CID 42648091

Frequently Asked Questions

What is the IUPAC name of 3-octylsulfinylprop-1-en-1-ol?
The IUPAC name of 3-octylsulfinylprop-1-en-1-ol (CID 173239432) is 3-octylsulfinylprop-1-en-1-ol.
What is the SMILES notation for 3-octylsulfinylprop-1-en-1-ol?
The canonical SMILES for 3-octylsulfinylprop-1-en-1-ol is CCCCCCCCS(=O)CC=CO.
What is the InChIKey of 3-octylsulfinylprop-1-en-1-ol?
The InChIKey is JEOWSLHZKLOZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 3-octylsulfinylprop-1-en-1-ol?
3-octylsulfinylprop-1-en-1-ol has a molecular weight of 218.36 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octylsulfinylprop-1-en-1-ol is sourced from PubChem (CID 173239432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).