10-methylsulfinyldecan-1-ol

C11H24O2S — CID 23126770

IUPAC10-methylsulfinyldecan-1-ol
SMILESCS(=O)CCCCCCCCCCO
InChIInChI=1S/C11H24O2S/c1-14(13)11-9-7-5-3-2-4-6-8-10-12/h12H,2-11H2,1H3
InChIKeyJXFALLXBFCANJU-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.48
Rot. Bonds10

About 10-methylsulfinyldecan-1-ol

10-methylsulfinyldecan-1-ol (PubChem CID 23126770) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 10-methylsulfinyldecan-1-ol.

Molecular Properties

Compound Name10-methylsulfinyldecan-1-ol
PubChem CID23126770
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name10-methylsulfinyldecan-1-ol
SMILESCS(=O)CCCCCCCCCCO
InChIInChI=1S/C11H24O2S/c1-14(13)11-9-7-5-3-2-4-6-8-10-12/h12H,2-11H2,1H3
InChIKeyJXFALLXBFCANJU-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 10-methylsulfinyldecan-1-ol?
The IUPAC name of 10-methylsulfinyldecan-1-ol (CID 23126770) is 10-methylsulfinyldecan-1-ol.
What is the SMILES notation for 10-methylsulfinyldecan-1-ol?
The canonical SMILES for 10-methylsulfinyldecan-1-ol is CS(=O)CCCCCCCCCCO.
What is the InChIKey of 10-methylsulfinyldecan-1-ol?
The InChIKey is JXFALLXBFCANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-14(13)11-9-7-5-3-2-4-6-8-10-12/h12H,2-11H2,1H3.
What are the key properties of 10-methylsulfinyldecan-1-ol?
10-methylsulfinyldecan-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 10-methylsulfinyldecan-1-ol is sourced from PubChem (CID 23126770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).