bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide

C11H17I6- — CID 161242194

IUPACbis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide
SMILESC=C=C.C=C=CC.C=C=CC.I.II.I[I-]I
InChIInChI=1S/2C4H6.C3H4.I3.I2.HI/c2*1-3-4-2;2*1-3-2;1-2;/h2*4H,1H2,2H3;1-2H2;;;1H/q;;;-1;;
InChIKeyOYXOTNMLWPDRGS-UHFFFAOYSA-N
MW910.68 g/mol
LogP4.82
Rot. Bonds

About bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide

bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide (PubChem CID 161242194) has the molecular formula C11H17I6- and a molecular weight of 910.68 g/mol. Its IUPAC name is bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide.

Molecular Properties

Compound Namebis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide
PubChem CID161242194
Molecular FormulaC11H17I6-
Molecular Weight910.68 g/mol
Exact Mass910.56
IUPAC Namebis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide
SMILESC=C=C.C=C=CC.C=C=CC.I.II.I[I-]I
InChIInChI=1S/2C4H6.C3H4.I3.I2.HI/c2*1-3-4-2;2*1-3-2;1-2;/h2*4H,1H2,2H3;1-2H2;;;1H/q;;;-1;;
InChIKeyOYXOTNMLWPDRGS-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500910.68
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 143712294
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CID 175355103
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CID 91432943
propa-1,2-diene
CID 10037
2-iodo-2-prop-1-enylpropanedinitrile
CID 71340812
ethene;penta-2,3-diene
CID 174357342
buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
CID 143721190
hexa-1,2,3,4-tetraene
CID 11815814
(4E)-4-methylhexa-1,2,4-triene
CID 90999929
acetic acid;ethene;ethenyl acetate;molecular iodine;molecular oxygen;triiodide;hydroiodide
CID 157352075
methane;bis(propa-1,2-diene)
CID 158722714

Frequently Asked Questions

What is the IUPAC name of bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide?
The IUPAC name of bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide (CID 161242194) is bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide.
What is the SMILES notation for bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide?
The canonical SMILES for bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide is C=C=C.C=C=CC.C=C=CC.I.II.I[I-]I.
What is the InChIKey of bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide?
The InChIKey is OYXOTNMLWPDRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6.C3H4.I3.I2.HI/c2*1-3-4-2;2*1-3-2;1-2;/h2*4H,1H2,2H3;1-2H2;;;1H/q;;;-1;;.
What are the key properties of bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide?
bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide has a molecular weight of 910.68 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide is sourced from PubChem (CID 161242194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).