1-octylsulfinylethanol

C10H22O2S — CID 23358608

IUPAC1-octylsulfinylethanol
SMILESCCCCCCCCS(=O)C(C)O
InChIInChI=1S/C10H22O2S/c1-3-4-5-6-7-8-9-13(12)10(2)11/h10-11H,3-9H2,1-2H3
InChIKeySKHWPXDIMXVWAX-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.43
Rot. Bonds8

About 1-octylsulfinylethanol

1-octylsulfinylethanol (PubChem CID 23358608) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-octylsulfinylethanol.

Molecular Properties

Compound Name1-octylsulfinylethanol
PubChem CID23358608
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-octylsulfinylethanol
SMILESCCCCCCCCS(=O)C(C)O
InChIInChI=1S/C10H22O2S/c1-3-4-5-6-7-8-9-13(12)10(2)11/h10-11H,3-9H2,1-2H3
InChIKeySKHWPXDIMXVWAX-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.43
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 1-octylsulfinylethanol?
The IUPAC name of 1-octylsulfinylethanol (CID 23358608) is 1-octylsulfinylethanol.
What is the SMILES notation for 1-octylsulfinylethanol?
The canonical SMILES for 1-octylsulfinylethanol is CCCCCCCCS(=O)C(C)O.
What is the InChIKey of 1-octylsulfinylethanol?
The InChIKey is SKHWPXDIMXVWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-3-4-5-6-7-8-9-13(12)10(2)11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-octylsulfinylethanol?
1-octylsulfinylethanol has a molecular weight of 206.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylsulfinylethanol is sourced from PubChem (CID 23358608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).