1-methylsulfinyldecan-2-one

C11H22O2S — CID 139798392

IUPAC1-methylsulfinyldecan-2-one
SMILESCCCCCCCCC(=O)CS(C)=O
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-11(12)10-14(2)13/h3-10H2,1-2H3
InChIKeyKAAQHFGJLGEVOZ-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.68
Rot. Bonds9

About 1-methylsulfinyldecan-2-one

1-methylsulfinyldecan-2-one (PubChem CID 139798392) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 1-methylsulfinyldecan-2-one.

Molecular Properties

Compound Name1-methylsulfinyldecan-2-one
PubChem CID139798392
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name1-methylsulfinyldecan-2-one
SMILESCCCCCCCCC(=O)CS(C)=O
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-11(12)10-14(2)13/h3-10H2,1-2H3
InChIKeyKAAQHFGJLGEVOZ-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.68
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

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
pentadecane-2,7-dione
CID 15360002
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
heptacosane-10,12-dione
CID 14235516

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyldecan-2-one?
The IUPAC name of 1-methylsulfinyldecan-2-one (CID 139798392) is 1-methylsulfinyldecan-2-one.
What is the SMILES notation for 1-methylsulfinyldecan-2-one?
The canonical SMILES for 1-methylsulfinyldecan-2-one is CCCCCCCCC(=O)CS(C)=O.
What is the InChIKey of 1-methylsulfinyldecan-2-one?
The InChIKey is KAAQHFGJLGEVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-11(12)10-14(2)13/h3-10H2,1-2H3.
What are the key properties of 1-methylsulfinyldecan-2-one?
1-methylsulfinyldecan-2-one has a molecular weight of 218.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyldecan-2-one is sourced from PubChem (CID 139798392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).