8-ethyl-10-sulfanyldecan-2-one

C12H24OS — CID 90909179

IUPAC8-ethyl-10-sulfanyldecan-2-one
SMILESCCC(CCS)CCCCCC(C)=O
InChIInChI=1S/C12H24OS/c1-3-12(9-10-14)8-6-4-5-7-11(2)13/h12,14H,3-10H2,1-2H3
InChIKeyYHDUBDFPWZIOFS-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.87
Rot. Bonds9

About 8-ethyl-10-sulfanyldecan-2-one

8-ethyl-10-sulfanyldecan-2-one (PubChem CID 90909179) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 8-ethyl-10-sulfanyldecan-2-one.

Molecular Properties

Compound Name8-ethyl-10-sulfanyldecan-2-one
PubChem CID90909179
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name8-ethyl-10-sulfanyldecan-2-one
SMILESCCC(CCS)CCCCCC(C)=O
InChIInChI=1S/C12H24OS/c1-3-12(9-10-14)8-6-4-5-7-11(2)13/h12,14H,3-10H2,1-2H3
InChIKeyYHDUBDFPWZIOFS-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-10-sulfanyldecan-2-one?
The IUPAC name of 8-ethyl-10-sulfanyldecan-2-one (CID 90909179) is 8-ethyl-10-sulfanyldecan-2-one.
What is the SMILES notation for 8-ethyl-10-sulfanyldecan-2-one?
The canonical SMILES for 8-ethyl-10-sulfanyldecan-2-one is CCC(CCS)CCCCCC(C)=O.
What is the InChIKey of 8-ethyl-10-sulfanyldecan-2-one?
The InChIKey is YHDUBDFPWZIOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-3-12(9-10-14)8-6-4-5-7-11(2)13/h12,14H,3-10H2,1-2H3.
What are the key properties of 8-ethyl-10-sulfanyldecan-2-one?
8-ethyl-10-sulfanyldecan-2-one has a molecular weight of 216.39 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-10-sulfanyldecan-2-one is sourced from PubChem (CID 90909179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).