(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene

C14H28SSe — CID 134919505

IUPAC(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene
SMILESCCCCCC/C=C(\SCC)[Se]CC(C)C
InChIInChI=1S/C14H28SSe/c1-5-7-8-9-10-11-14(15-6-2)16-12-13(3)4/h11,13H,5-10,12H2,1-4H3/b14-11+
InChIKeyXYFBUIYVPPVVSL-SDNWHVSQSA-N
MW307.41 g/mol
LogP5.33
Rot. Bonds10

About (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene

(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene (PubChem CID 134919505) has the molecular formula C14H28SSe and a molecular weight of 307.41 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene
PubChem CID134919505
Molecular FormulaC14H28SSe
Molecular Weight307.41 g/mol
Exact Mass308.11
IUPAC Name(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene
SMILESCCCCCC/C=C(\SCC)[Se]CC(C)C
InChIInChI=1S/C14H28SSe/c1-5-7-8-9-10-11-14(15-6-2)16-12-13(3)4/h11,13H,5-10,12H2,1-4H3/b14-11+
InChIKeyXYFBUIYVPPVVSL-SDNWHVSQSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.33
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

(E)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 11276786
(Z)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 15506043
(Z)-1-ethylsulfanyl-1-methylselanyloct-1-ene
CID 15506044
[(E)-2-ethylsulfanyl-2-(2-methylpropylselanyl)ethenyl]cyclohexane
CID 134919703
(E)-1-ethylsulfanyl-1-methylselanyloct-1-ene
CID 134919864
[(E)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134919893
[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134923104
(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-methylsulfanyloct-1-ene
CID 134923320

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene?
The IUPAC name of (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene (CID 134919505) is (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene.
What is the SMILES notation for (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene?
The canonical SMILES for (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene is CCCCCC/C=C(\SCC)[Se]CC(C)C.
What is the InChIKey of (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene?
The InChIKey is XYFBUIYVPPVVSL-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H28SSe/c1-5-7-8-9-10-11-14(15-6-2)16-12-13(3)4/h11,13H,5-10,12H2,1-4H3/b14-11+.
What are the key properties of (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene?
(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene has a molecular weight of 307.41 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene is sourced from PubChem (CID 134919505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).