[(E)-1-iodohept-1-en-2-yl]tellanylbenzene

C13H17ITe — CID 10693787

IUPAC[(E)-1-iodohept-1-en-2-yl]tellanylbenzene
SMILESCCCCC/C(=C\I)[Te]c1ccccc1
InChIInChI=1S/C13H17ITe/c1-2-3-5-10-13(11-14)15-12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3/b13-11+
InChIKeyNYMPTRWOIAORLC-ACCUITESSA-N
MW427.78 g/mol
LogP3.87
Rot. Bonds6

About [(E)-1-iodohept-1-en-2-yl]tellanylbenzene

[(E)-1-iodohept-1-en-2-yl]tellanylbenzene (PubChem CID 10693787) has the molecular formula C13H17ITe and a molecular weight of 427.78 g/mol. Its IUPAC name is [(E)-1-iodohept-1-en-2-yl]tellanylbenzene.

Molecular Properties

Compound Name[(E)-1-iodohept-1-en-2-yl]tellanylbenzene
PubChem CID10693787
Molecular FormulaC13H17ITe
Molecular Weight427.78 g/mol
Exact Mass429.94
IUPAC Name[(E)-1-iodohept-1-en-2-yl]tellanylbenzene
SMILESCCCCC/C(=C\I)[Te]c1ccccc1
InChIInChI=1S/C13H17ITe/c1-2-3-5-10-13(11-14)15-12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3/b13-11+
InChIKeyNYMPTRWOIAORLC-ACCUITESSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.78
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-tetradec-3-en-4-yl]tellanylbenzene
CID 134933054
[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene
CID 11373724
[(E)-1-methylsulfanylhept-1-enyl]tellanylbenzene
CID 11046275
cobalt;octanoic acid;1,2-xylene
CID 175075701
(E)-1,2-diiodohept-1-ene
CID 15312157
(2E)-2-benzylideneheptanoic acid
CID 14318164
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
octanoyl chloride;toluene
CID 175179204
phenoxybenzene;tetradecanoic acid
CID 175422794
1-phenylheptadecan-1-one
CID 577626
1,1'-biphenyl;heptadecan-9-one
CID 19613965

Frequently Asked Questions

What is the IUPAC name of [(E)-1-iodohept-1-en-2-yl]tellanylbenzene?
The IUPAC name of [(E)-1-iodohept-1-en-2-yl]tellanylbenzene (CID 10693787) is [(E)-1-iodohept-1-en-2-yl]tellanylbenzene.
What is the SMILES notation for [(E)-1-iodohept-1-en-2-yl]tellanylbenzene?
The canonical SMILES for [(E)-1-iodohept-1-en-2-yl]tellanylbenzene is CCCCC/C(=C\I)[Te]c1ccccc1.
What is the InChIKey of [(E)-1-iodohept-1-en-2-yl]tellanylbenzene?
The InChIKey is NYMPTRWOIAORLC-ACCUITESSA-N. The full InChI is InChI=1S/C13H17ITe/c1-2-3-5-10-13(11-14)15-12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3/b13-11+.
What are the key properties of [(E)-1-iodohept-1-en-2-yl]tellanylbenzene?
[(E)-1-iodohept-1-en-2-yl]tellanylbenzene has a molecular weight of 427.78 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-iodohept-1-en-2-yl]tellanylbenzene is sourced from PubChem (CID 10693787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).