hexylsulfanylselanylmethylbenzene

C13H20SSe — CID 15457732

IUPAChexylsulfanylselanylmethylbenzene
SMILESCCCCCCS[Se]Cc1ccccc1
InChIInChI=1S/C13H20SSe/c1-2-3-4-8-11-14-15-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyOKFZIHLGPKLLGG-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.12
Rot. Bonds8

About hexylsulfanylselanylmethylbenzene

hexylsulfanylselanylmethylbenzene (PubChem CID 15457732) has the molecular formula C13H20SSe and a molecular weight of 287.33 g/mol. Its IUPAC name is hexylsulfanylselanylmethylbenzene.

Molecular Properties

Compound Namehexylsulfanylselanylmethylbenzene
PubChem CID15457732
Molecular FormulaC13H20SSe
Molecular Weight287.33 g/mol
Exact Mass288.05
IUPAC Namehexylsulfanylselanylmethylbenzene
SMILESCCCCCCS[Se]Cc1ccccc1
InChIInChI=1S/C13H20SSe/c1-2-3-4-8-11-14-15-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyOKFZIHLGPKLLGG-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(heptyldisulfanyl)methylbenzene
CID 141419061
hexakis(decane);ethylbenzene
CID 173398562
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
CID 67791041
CID 67791041
hexylbenzene;hydrogen peroxide
CID 90001206
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
nickel;octylsulfanylbenzene
CID 157277722

Frequently Asked Questions

What is the IUPAC name of hexylsulfanylselanylmethylbenzene?
The IUPAC name of hexylsulfanylselanylmethylbenzene (CID 15457732) is hexylsulfanylselanylmethylbenzene.
What is the SMILES notation for hexylsulfanylselanylmethylbenzene?
The canonical SMILES for hexylsulfanylselanylmethylbenzene is CCCCCCS[Se]Cc1ccccc1.
What is the InChIKey of hexylsulfanylselanylmethylbenzene?
The InChIKey is OKFZIHLGPKLLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20SSe/c1-2-3-4-8-11-14-15-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3.
What are the key properties of hexylsulfanylselanylmethylbenzene?
hexylsulfanylselanylmethylbenzene has a molecular weight of 287.33 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexylsulfanylselanylmethylbenzene is sourced from PubChem (CID 15457732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).