octylsulfinylmethylbenzene

C15H24OS — CID 15632681

IUPACoctylsulfinylmethylbenzene
SMILESCCCCCCCCS(=O)Cc1ccccc1
InChIInChI=1S/C15H24OS/c1-2-3-4-5-6-10-13-17(16)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChIKeyBYVSLWXPANHRRT-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.30
Rot. Bonds9

About octylsulfinylmethylbenzene

octylsulfinylmethylbenzene (PubChem CID 15632681) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is octylsulfinylmethylbenzene.

Molecular Properties

Compound Nameoctylsulfinylmethylbenzene
PubChem CID15632681
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Nameoctylsulfinylmethylbenzene
SMILESCCCCCCCCS(=O)Cc1ccccc1
InChIInChI=1S/C15H24OS/c1-2-3-4-5-6-10-13-17(16)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChIKeyBYVSLWXPANHRRT-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octylsulfinylmethylbenzene?
The IUPAC name of octylsulfinylmethylbenzene (CID 15632681) is octylsulfinylmethylbenzene.
What is the SMILES notation for octylsulfinylmethylbenzene?
The canonical SMILES for octylsulfinylmethylbenzene is CCCCCCCCS(=O)Cc1ccccc1.
What is the InChIKey of octylsulfinylmethylbenzene?
The InChIKey is BYVSLWXPANHRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-2-3-4-5-6-10-13-17(16)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3.
What are the key properties of octylsulfinylmethylbenzene?
octylsulfinylmethylbenzene has a molecular weight of 252.42 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octylsulfinylmethylbenzene is sourced from PubChem (CID 15632681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).