5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid

C15H28O2S — CID 88671918

IUPAC5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid
SMILESCSCCC(CCC(C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C15H28O2S/c1-12(2)6-5-7-13(3)8-9-14(15(16)17)10-11-18-4/h6,13-14H,5,7-11H2,1-4H3,(H,16,17)
InChIKeyQJIZFWLSEJJEFV-UHFFFAOYSA-N
MW272.45 g/mol
LogP4.60
Rot. Bonds10

About 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid

5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid (PubChem CID 88671918) has the molecular formula C15H28O2S and a molecular weight of 272.45 g/mol. Its IUPAC name is 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid.

Molecular Properties

Compound Name5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid
PubChem CID88671918
Molecular FormulaC15H28O2S
Molecular Weight272.45 g/mol
Exact Mass272.18
IUPAC Name5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid
SMILESCSCCC(CCC(C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C15H28O2S/c1-12(2)6-5-7-13(3)8-9-14(15(16)17)10-11-18-4/h6,13-14H,5,7-11H2,1-4H3,(H,16,17)
InChIKeyQJIZFWLSEJJEFV-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid?
The IUPAC name of 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid (CID 88671918) is 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid.
What is the SMILES notation for 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid?
The canonical SMILES for 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid is CSCCC(CCC(C)CCC=C(C)C)C(=O)O.
What is the InChIKey of 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid?
The InChIKey is QJIZFWLSEJJEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2S/c1-12(2)6-5-7-13(3)8-9-14(15(16)17)10-11-18-4/h6,13-14H,5,7-11H2,1-4H3,(H,16,17).
What are the key properties of 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid?
5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid has a molecular weight of 272.45 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-2-(2-methylsulfanylethyl)dec-8-enoic acid is sourced from PubChem (CID 88671918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).