[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium

C8H11Tl — CID 142529132

IUPAC[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium
SMILESC=C(C)/C=C(/[Tl])C(=C)C
InChIInChI=1S/C8H11.Tl/c1-7(2)5-6-8(3)4;/h5H,1,3H2,2,4H3;
InChIKeyJXGIEGHALSMJCM-UHFFFAOYSA-N
MW311.56 g/mol
LogP2.19
Rot. Bonds2

About [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium

[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium (PubChem CID 142529132) has the molecular formula C8H11Tl and a molecular weight of 311.56 g/mol. Its IUPAC name is [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium.

Molecular Properties

Compound Name[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium
PubChem CID142529132
Molecular FormulaC8H11Tl
Molecular Weight311.56 g/mol
Exact Mass312.06
IUPAC Name[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium
SMILESC=C(C)/C=C(/[Tl])C(=C)C
InChIInChI=1S/C8H11.Tl/c1-7(2)5-6-8(3)4;/h5H,1,3H2,2,4H3;
InChIKeyJXGIEGHALSMJCM-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3E)-3-chloro-2,5-dimethylhexa-1,3,5-triene;ethane
CID 142945518
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
CID 142358246
(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
CID 145172629
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
(1E)-1-amino-3-methylbuta-1,3-dien-1-ol;ethane
CID 142851465
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
ethane;(3E)-5-methylhexa-1,3,5-triene-2,3-diol
CID 143169625
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213

Frequently Asked Questions

What is the IUPAC name of [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium?
The IUPAC name of [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium (CID 142529132) is [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium.
What is the SMILES notation for [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium?
The canonical SMILES for [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium is C=C(C)/C=C(/[Tl])C(=C)C.
What is the InChIKey of [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium?
The InChIKey is JXGIEGHALSMJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.Tl/c1-7(2)5-6-8(3)4;/h5H,1,3H2,2,4H3;.
What are the key properties of [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium?
[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium has a molecular weight of 311.56 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium is sourced from PubChem (CID 142529132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).