(E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene

C13H26SSe — CID 134988800

IUPAC(E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene
SMILESCCCCCC/C=C(\SC)[Se]CC(C)C
InChIInChI=1S/C13H26SSe/c1-5-6-7-8-9-10-13(14-4)15-11-12(2)3/h10,12H,5-9,11H2,1-4H3/b13-10+
InChIKeyHSDKVWLKJUJZDA-JLHYYAGUSA-N
MW293.38 g/mol
LogP4.94
Rot. Bonds9

About (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene

(E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene (PubChem CID 134988800) has the molecular formula C13H26SSe and a molecular weight of 293.38 g/mol. Its IUPAC name is (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene.

Molecular Properties

Compound Name(E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene
PubChem CID134988800
Molecular FormulaC13H26SSe
Molecular Weight293.38 g/mol
Exact Mass294.09
IUPAC Name(E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene
SMILESCCCCCC/C=C(\SC)[Se]CC(C)C
InChIInChI=1S/C13H26SSe/c1-5-6-7-8-9-10-13(14-4)15-11-12(2)3/h10,12H,5-9,11H2,1-4H3/b13-10+
InChIKeyHSDKVWLKJUJZDA-JLHYYAGUSA-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'}

Analyze (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
lithium (Z)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873122
lithium (E)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873312
[(E)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134919481
(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene
CID 134919505
[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134919600
(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)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134923277

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene?
The IUPAC name of (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene (CID 134988800) is (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene.
What is the SMILES notation for (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene?
The canonical SMILES for (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene is CCCCCC/C=C(\SC)[Se]CC(C)C.
What is the InChIKey of (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene?
The InChIKey is HSDKVWLKJUJZDA-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H26SSe/c1-5-6-7-8-9-10-13(14-4)15-11-12(2)3/h10,12H,5-9,11H2,1-4H3/b13-10+.
What are the key properties of (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene?
(E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-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 (E)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene is sourced from PubChem (CID 134988800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).