10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol

C24H50O4S — CID 20805190

IUPAC10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol
SMILESCC(C)(CCCCCO)CCCCOCCCCC(C)(C)CCCCS(C)(=O)=O
InChIInChI=1S/C24H50O4S/c1-23(2,15-7-6-11-19-25)16-8-12-20-28-21-13-9-17-24(3,4)18-10-14-22-29(5,26)27/h25H,6-22H2,1-5H3
InChIKeyOSLBUZWLZUXAKD-UHFFFAOYSA-N
MW434.73 g/mol
LogP6.16
Rot. Bonds20

About 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol

10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol (PubChem CID 20805190) has the molecular formula C24H50O4S and a molecular weight of 434.73 g/mol. Its IUPAC name is 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol.

Molecular Properties

Compound Name10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol
PubChem CID20805190
Molecular FormulaC24H50O4S
Molecular Weight434.73 g/mol
Exact Mass434.34
IUPAC Name10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol
SMILESCC(C)(CCCCCO)CCCCOCCCCC(C)(C)CCCCS(C)(=O)=O
InChIInChI=1S/C24H50O4S/c1-23(2,15-7-6-11-19-25)16-8-12-20-28-21-13-9-17-24(3,4)18-10-14-22-29(5,26)27/h25H,6-22H2,1-5H3
InChIKeyOSLBUZWLZUXAKD-UHFFFAOYSA-N
XLogP6.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.73
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol?
The IUPAC name of 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol (CID 20805190) is 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol.
What is the SMILES notation for 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol?
The canonical SMILES for 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol is CC(C)(CCCCCO)CCCCOCCCCC(C)(C)CCCCS(C)(=O)=O.
What is the InChIKey of 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol?
The InChIKey is OSLBUZWLZUXAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O4S/c1-23(2,15-7-6-11-19-25)16-8-12-20-28-21-13-9-17-24(3,4)18-10-14-22-29(5,26)27/h25H,6-22H2,1-5H3.
What are the key properties of 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol?
10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol has a molecular weight of 434.73 g/mol, XLogP of 6.16, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5,5-dimethyl-9-methylsulfonylnonoxy)-6,6-dimethyldecan-1-ol is sourced from PubChem (CID 20805190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).