(Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene

C16H32SSe — CID 134986848

IUPAC(Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene
SMILESCCCCCC/C=C(/SCC(C)C)[Se]CC(C)C
InChIInChI=1S/C16H32SSe/c1-6-7-8-9-10-11-16(17-12-14(2)3)18-13-15(4)5/h11,14-15H,6-10,12-13H2,1-5H3/b16-11-
InChIKeyNSOAYIFISNVLAA-WJDWOHSUSA-N
MW335.46 g/mol
LogP5.97
Rot. Bonds11

About (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene

(Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene (PubChem CID 134986848) has the molecular formula C16H32SSe and a molecular weight of 335.46 g/mol. Its IUPAC name is (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene.

Molecular Properties

Compound Name(Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene
PubChem CID134986848
Molecular FormulaC16H32SSe
Molecular Weight335.46 g/mol
Exact Mass336.14
IUPAC Name(Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene
SMILESCCCCCC/C=C(/SCC(C)C)[Se]CC(C)C
InChIInChI=1S/C16H32SSe/c1-6-7-8-9-10-11-16(17-12-14(2)3)18-13-15(4)5/h11,14-15H,6-10,12-13H2,1-5H3/b16-11-
InChIKeyNSOAYIFISNVLAA-WJDWOHSUSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.46
LogP ≤ 55.97
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

(Z)-1-ethylsulfanyl-1-methylselanyloct-1-ene
CID 15506044
(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene
CID 134919505
(E)-1-ethylsulfanyl-1-methylselanyloct-1-ene
CID 134919864
(Z)-1-ethylselanyl-1-(2-methylpropylsulfanyl)oct-1-ene
CID 134923126
(Z)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene
CID 134923144
(Z)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene
CID 134923297
(Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene
CID 134923319
(Z)-1-ethylselanyl-1-ethylsulfanyloct-1-ene
CID 134987779
(E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene
CID 134988800
(Z)-1-butylselanyl-2-butylsulfanyloct-1-ene
CID 11393518
(Z)-2-butylselanyl-1-butylsulfanyloct-1-ene
CID 101266324

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene?
The IUPAC name of (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene (CID 134986848) is (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene.
What is the SMILES notation for (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene?
The canonical SMILES for (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene is CCCCCC/C=C(/SCC(C)C)[Se]CC(C)C.
What is the InChIKey of (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene?
The InChIKey is NSOAYIFISNVLAA-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H32SSe/c1-6-7-8-9-10-11-16(17-12-14(2)3)18-13-15(4)5/h11,14-15H,6-10,12-13H2,1-5H3/b16-11-.
What are the key properties of (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene?
(Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene has a molecular weight of 335.46 g/mol, XLogP of 5.97, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene is sourced from PubChem (CID 134986848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).