[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene

C13H18SSe — CID 134923204

IUPAC[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene
SMILESC[Se]/C(=C/c1ccccc1)SCC(C)C
InChIInChI=1S/C13H18SSe/c1-11(2)10-14-13(15-3)9-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3/b13-9+
InChIKeyPODUNUXFJQCEGK-UKTHLTGXSA-N
MW285.31 g/mol
LogP4.13
Rot. Bonds5

About [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene

[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene (PubChem CID 134923204) has the molecular formula C13H18SSe and a molecular weight of 285.31 g/mol. Its IUPAC name is [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene
PubChem CID134923204
Molecular FormulaC13H18SSe
Molecular Weight285.31 g/mol
Exact Mass286.03
IUPAC Name[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene
SMILESC[Se]/C(=C/c1ccccc1)SCC(C)C
InChIInChI=1S/C13H18SSe/c1-11(2)10-14-13(15-3)9-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3/b13-9+
InChIKeyPODUNUXFJQCEGK-UKTHLTGXSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene 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)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
CID 11438560
[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene
CID 135082590
[(E)-2-bromo-2-methylselanylethenyl]benzene
CID 10989488
(2-chloro-4-methylpent-1-enyl)benzene
CID 175414445
(2Z)-2-benzylidene-5-methylhexanoic acid
CID 70273739
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
CID 13214341
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(E)-6-methyl-1,2-diphenylhept-1-ene-3,4-dione
CID 102352907
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol
CID 134945314
[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene
CID 66730141
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene?
The IUPAC name of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene (CID 134923204) is [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene.
What is the SMILES notation for [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene?
The canonical SMILES for [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene is C[Se]/C(=C/c1ccccc1)SCC(C)C.
What is the InChIKey of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene?
The InChIKey is PODUNUXFJQCEGK-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H18SSe/c1-11(2)10-14-13(15-3)9-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3/b13-9+.
What are the key properties of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene?
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene has a molecular weight of 285.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene is sourced from PubChem (CID 134923204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).