7-(3-methylsulfonylpropyl)tridecane

C17H36O2S — CID 134251360

IUPAC7-(3-methylsulfonylpropyl)tridecane
SMILESCCCCCCC(CCCCCC)CCCS(C)(=O)=O
InChIInChI=1S/C17H36O2S/c1-4-6-8-10-13-17(14-11-9-7-5-2)15-12-16-20(3,18)19/h17H,4-16H2,1-3H3
InChIKeyYQGHUAWCLOAZKN-UHFFFAOYSA-N
MW304.54 g/mol
LogP5.37
Rot. Bonds14

About 7-(3-methylsulfonylpropyl)tridecane

7-(3-methylsulfonylpropyl)tridecane (PubChem CID 134251360) has the molecular formula C17H36O2S and a molecular weight of 304.54 g/mol. Its IUPAC name is 7-(3-methylsulfonylpropyl)tridecane.

Molecular Properties

Compound Name7-(3-methylsulfonylpropyl)tridecane
PubChem CID134251360
Molecular FormulaC17H36O2S
Molecular Weight304.54 g/mol
Exact Mass304.24
IUPAC Name7-(3-methylsulfonylpropyl)tridecane
SMILESCCCCCCC(CCCCCC)CCCS(C)(=O)=O
InChIInChI=1S/C17H36O2S/c1-4-6-8-10-13-17(14-11-9-7-5-2)15-12-16-20(3,18)19/h17H,4-16H2,1-3H3
InChIKeyYQGHUAWCLOAZKN-UHFFFAOYSA-N
XLogP5.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 55.37
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

1-methylsulfonylnonane
CID 19089493
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylsulfonylpropyl)tridecane?
The IUPAC name of 7-(3-methylsulfonylpropyl)tridecane (CID 134251360) is 7-(3-methylsulfonylpropyl)tridecane.
What is the SMILES notation for 7-(3-methylsulfonylpropyl)tridecane?
The canonical SMILES for 7-(3-methylsulfonylpropyl)tridecane is CCCCCCC(CCCCCC)CCCS(C)(=O)=O.
What is the InChIKey of 7-(3-methylsulfonylpropyl)tridecane?
The InChIKey is YQGHUAWCLOAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2S/c1-4-6-8-10-13-17(14-11-9-7-5-2)15-12-16-20(3,18)19/h17H,4-16H2,1-3H3.
What are the key properties of 7-(3-methylsulfonylpropyl)tridecane?
7-(3-methylsulfonylpropyl)tridecane has a molecular weight of 304.54 g/mol, XLogP of 5.37, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylsulfonylpropyl)tridecane is sourced from PubChem (CID 134251360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).