1-(2-hydroxydecylsulfinyl)decan-2-ol

C20H42O3S — CID 53471255

IUPAC1-(2-hydroxydecylsulfinyl)decan-2-ol
SMILESCCCCCCCCC(O)CS(=O)CC(O)CCCCCCCC
InChIInChI=1S/C20H42O3S/c1-3-5-7-9-11-13-15-19(21)17-24(23)18-20(22)16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3
InChIKeyGRNIEUCNVBUFEX-UHFFFAOYSA-N
MW362.62 g/mol
LogP4.96
Rot. Bonds18

About 1-(2-hydroxydecylsulfinyl)decan-2-ol

1-(2-hydroxydecylsulfinyl)decan-2-ol (PubChem CID 53471255) has the molecular formula C20H42O3S and a molecular weight of 362.62 g/mol. Its IUPAC name is 1-(2-hydroxydecylsulfinyl)decan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxydecylsulfinyl)decan-2-ol
PubChem CID53471255
Molecular FormulaC20H42O3S
Molecular Weight362.62 g/mol
Exact Mass362.29
IUPAC Name1-(2-hydroxydecylsulfinyl)decan-2-ol
SMILESCCCCCCCCC(O)CS(=O)CC(O)CCCCCCCC
InChIInChI=1S/C20H42O3S/c1-3-5-7-9-11-13-15-19(21)17-24(23)18-20(22)16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3
InChIKeyGRNIEUCNVBUFEX-UHFFFAOYSA-N
XLogP4.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-hydroxydecylsulfinyl)decan-2-ol?
The IUPAC name of 1-(2-hydroxydecylsulfinyl)decan-2-ol (CID 53471255) is 1-(2-hydroxydecylsulfinyl)decan-2-ol.
What is the SMILES notation for 1-(2-hydroxydecylsulfinyl)decan-2-ol?
The canonical SMILES for 1-(2-hydroxydecylsulfinyl)decan-2-ol is CCCCCCCCC(O)CS(=O)CC(O)CCCCCCCC.
What is the InChIKey of 1-(2-hydroxydecylsulfinyl)decan-2-ol?
The InChIKey is GRNIEUCNVBUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3S/c1-3-5-7-9-11-13-15-19(21)17-24(23)18-20(22)16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3.
What are the key properties of 1-(2-hydroxydecylsulfinyl)decan-2-ol?
1-(2-hydroxydecylsulfinyl)decan-2-ol has a molecular weight of 362.62 g/mol, XLogP of 4.96, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxydecylsulfinyl)decan-2-ol is sourced from PubChem (CID 53471255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).