molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene

C11H20I2 — CID 158020066

IUPACmolecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
SMILESCC(/C=C\C(C)C)=C/C(C)C.II
InChIInChI=1S/C11H20.I2/c1-9(2)6-7-11(5)8-10(3)4;1-2/h6-10H,1-5H3;/b7-6-,11-8-;
InChIKeyFFYKJJQAJQMATG-QYQXULKRSA-N
MW406.09 g/mol
LogP5.57
Rot. Bonds3

About molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene

molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene (PubChem CID 158020066) has the molecular formula C11H20I2 and a molecular weight of 406.09 g/mol. Its IUPAC name is molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene.

Molecular Properties

Compound Namemolecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
PubChem CID158020066
Molecular FormulaC11H20I2
Molecular Weight406.09 g/mol
Exact Mass405.97
IUPAC Namemolecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
SMILESCC(/C=C\C(C)C)=C/C(C)C.II
InChIInChI=1S/C11H20.I2/c1-9(2)6-7-11(5)8-10(3)4;1-2/h6-10H,1-5H3;/b7-6-,11-8-;
InChIKeyFFYKJJQAJQMATG-QYQXULKRSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.09
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethylocta-3,5-dien-2-one
CID 130754932
(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
CID 145443397
(NZ)-N-[(Z)-5-methylhex-3-en-2-ylidene]thiohydroxylamine
CID 144511460
(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine
CID 143263122
(4Z)-2,6-dimethylhepta-2,4-dien-3-ol
CID 143340154
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine
CID 163732372
(NZ)-N-[(E)-5-methylhex-3-en-2-ylidene]hydroxylamine
CID 58526738
(E,3E)-3-ethylidene-6-methylhept-4-en-2-one
CID 91250506
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
(Z)-4-methylpent-2-en-2-amine
CID 154483305
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860

Frequently Asked Questions

What is the IUPAC name of molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene?
The IUPAC name of molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene (CID 158020066) is molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene.
What is the SMILES notation for molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene?
The canonical SMILES for molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene is CC(/C=C\C(C)C)=C/C(C)C.II.
What is the InChIKey of molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene?
The InChIKey is FFYKJJQAJQMATG-QYQXULKRSA-N. The full InChI is InChI=1S/C11H20.I2/c1-9(2)6-7-11(5)8-10(3)4;1-2/h6-10H,1-5H3;/b7-6-,11-8-;.
What are the key properties of molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene?
molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene has a molecular weight of 406.09 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene is sourced from PubChem (CID 158020066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).