(Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene

C13H26SSe — CID 134923319

IUPAC(Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene
SMILESCCCCCC/C=C(/SCC(C)C)[Se]C
InChIInChI=1S/C13H26SSe/c1-5-6-7-8-9-10-13(15-4)14-11-12(2)3/h10,12H,5-9,11H2,1-4H3/b13-10-
InChIKeyOHJRQYCRRRZECV-RAXLEYEMSA-N
MW293.38 g/mol
LogP4.94
Rot. Bonds9

About (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene

(Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene (PubChem CID 134923319) has the molecular formula C13H26SSe and a molecular weight of 293.38 g/mol. Its IUPAC name is (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene.

Molecular Properties

Compound Name(Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene
PubChem CID134923319
Molecular FormulaC13H26SSe
Molecular Weight293.38 g/mol
Exact Mass294.09
IUPAC Name(Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene
SMILESCCCCCC/C=C(/SCC(C)C)[Se]C
InChIInChI=1S/C13H26SSe/c1-5-6-7-8-9-10-13(15-4)14-11-12(2)3/h10,12H,5-9,11H2,1-4H3/b13-10-
InChIKeyOHJRQYCRRRZECV-RAXLEYEMSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.94
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
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
CID 134923117
(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
[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
CID 134986632
(Z)-1-(2-methylpropylselanyl)-1-(2-methylpropylsulfanyl)oct-1-ene
CID 134986848
[(Z)-2-butylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134987285
(Z)-1-ethylselanyl-1-ethylsulfanyloct-1-ene
CID 134987779
[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane
CID 134987861

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene?
The IUPAC name of (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene (CID 134923319) is (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene.
What is the SMILES notation for (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene?
The canonical SMILES for (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene is CCCCCC/C=C(/SCC(C)C)[Se]C.
What is the InChIKey of (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene?
The InChIKey is OHJRQYCRRRZECV-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H26SSe/c1-5-6-7-8-9-10-13(15-4)14-11-12(2)3/h10,12H,5-9,11H2,1-4H3/b13-10-.
What are the key properties of (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene?
(Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene has a molecular weight of 293.38 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methylpropylsulfanyl)-1-methylselanyloct-1-ene is sourced from PubChem (CID 134923319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).