(1E,3E)-1-iodo-5-methylhexa-1,3-diene

C7H11I — CID 88539318

IUPAC(1E,3E)-1-iodo-5-methylhexa-1,3-diene
SMILESCC(C)/C=C/C=C/I
InChIInChI=1S/C7H11I/c1-7(2)5-3-4-6-8/h3-7H,1-2H3/b5-3+,6-4+
InChIKeyKMBLRUSCLSMSDN-GGWOSOGESA-N
MW222.07 g/mol
LogP3.15
Rot. Bonds2

About (1E,3E)-1-iodo-5-methylhexa-1,3-diene

(1E,3E)-1-iodo-5-methylhexa-1,3-diene (PubChem CID 88539318) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is (1E,3E)-1-iodo-5-methylhexa-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-iodo-5-methylhexa-1,3-diene
PubChem CID88539318
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name(1E,3E)-1-iodo-5-methylhexa-1,3-diene
SMILESCC(C)/C=C/C=C/I
InChIInChI=1S/C7H11I/c1-7(2)5-3-4-6-8/h3-7H,1-2H3/b5-3+,6-4+
InChIKeyKMBLRUSCLSMSDN-GGWOSOGESA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 53.15
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

(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
(1E,3Z)-5-methylhexa-1,3-dien-1-amine
CID 163516351
(3E,5E)-2,2,7-trimethylocta-3,5-diene
CID 166040106
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
(Z)-1-bromo-3-methylbut-1-ene
CID 14148825
ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine
CID 143010225
ethane;(2E,3Z,5Z)-2-ethylidene-7-methylocta-3,5-dienenitrile
CID 142062606
(4E,6E)-8-methylnona-4,6-dienoic acid
CID 169444513
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(2R)-4-iodobut-3-en-2-ol
CID 57050704
2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane
CID 13265400
(2Z,4E)-2,6-dimethylhepta-2,4-dienamide
CID 129311525

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-iodo-5-methylhexa-1,3-diene?
The IUPAC name of (1E,3E)-1-iodo-5-methylhexa-1,3-diene (CID 88539318) is (1E,3E)-1-iodo-5-methylhexa-1,3-diene.
What is the SMILES notation for (1E,3E)-1-iodo-5-methylhexa-1,3-diene?
The canonical SMILES for (1E,3E)-1-iodo-5-methylhexa-1,3-diene is CC(C)/C=C/C=C/I.
What is the InChIKey of (1E,3E)-1-iodo-5-methylhexa-1,3-diene?
The InChIKey is KMBLRUSCLSMSDN-GGWOSOGESA-N. The full InChI is InChI=1S/C7H11I/c1-7(2)5-3-4-6-8/h3-7H,1-2H3/b5-3+,6-4+.
What are the key properties of (1E,3E)-1-iodo-5-methylhexa-1,3-diene?
(1E,3E)-1-iodo-5-methylhexa-1,3-diene has a molecular weight of 222.07 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-iodo-5-methylhexa-1,3-diene is sourced from PubChem (CID 88539318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).