10-propylsulfanyldecan-2-one

C13H26OS — CID 158917708

IUPAC10-propylsulfanyldecan-2-one
SMILESCCCSCCCCCCCCC(C)=O
InChIInChI=1S/C13H26OS/c1-3-11-15-12-9-7-5-4-6-8-10-13(2)14/h3-12H2,1-2H3
InChIKeyNWBJIQXBOGEHGY-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.45
Rot. Bonds11

About 10-propylsulfanyldecan-2-one

10-propylsulfanyldecan-2-one (PubChem CID 158917708) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is 10-propylsulfanyldecan-2-one.

Molecular Properties

Compound Name10-propylsulfanyldecan-2-one
PubChem CID158917708
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name10-propylsulfanyldecan-2-one
SMILESCCCSCCCCCCCCC(C)=O
InChIInChI=1S/C13H26OS/c1-3-11-15-12-9-7-5-4-6-8-10-13(2)14/h3-12H2,1-2H3
InChIKeyNWBJIQXBOGEHGY-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-oxobutylsulfanyl)hexanoic acid
CID 117098058
1-methylsulfanyldodecane;undecan-2-one
CID 159667099
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
nonatriacontan-2-one
CID 141365496
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
6-(3-methoxypropylsulfanyl)hexan-2-one
CID 63855950
6-octadecylsulfanylhexanoic acid
CID 21260175

Frequently Asked Questions

What is the IUPAC name of 10-propylsulfanyldecan-2-one?
The IUPAC name of 10-propylsulfanyldecan-2-one (CID 158917708) is 10-propylsulfanyldecan-2-one.
What is the SMILES notation for 10-propylsulfanyldecan-2-one?
The canonical SMILES for 10-propylsulfanyldecan-2-one is CCCSCCCCCCCCC(C)=O.
What is the InChIKey of 10-propylsulfanyldecan-2-one?
The InChIKey is NWBJIQXBOGEHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS/c1-3-11-15-12-9-7-5-4-6-8-10-13(2)14/h3-12H2,1-2H3.
What are the key properties of 10-propylsulfanyldecan-2-one?
10-propylsulfanyldecan-2-one has a molecular weight of 230.42 g/mol, XLogP of 4.45, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propylsulfanyldecan-2-one is sourced from PubChem (CID 158917708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).