1,5-diiodohepta-1,6-diene

C7H10I2 — CID 173353545

IUPAC1,5-diiodohepta-1,6-diene
SMILESC=CC(I)CCC=CI
InChIInChI=1S/C7H10I2/c1-2-7(9)5-3-4-6-8/h2,4,6-7H,1,3,5H2
InChIKeyDXSWRDFCZMHNLX-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.70
Rot. Bonds4

About 1,5-diiodohepta-1,6-diene

1,5-diiodohepta-1,6-diene (PubChem CID 173353545) has the molecular formula C7H10I2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 1,5-diiodohepta-1,6-diene.

Molecular Properties

Compound Name1,5-diiodohepta-1,6-diene
PubChem CID173353545
Molecular FormulaC7H10I2
Molecular Weight347.97 g/mol
Exact Mass347.89
IUPAC Name1,5-diiodohepta-1,6-diene
SMILESC=CC(I)CCC=CI
InChIInChI=1S/C7H10I2/c1-2-7(9)5-3-4-6-8/h2,4,6-7H,1,3,5H2
InChIKeyDXSWRDFCZMHNLX-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-iodo-6,6-dimethoxyhex-1-ene
CID 135030004
(4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine
CID 163658099
(E)-6-iodohex-5-enenitrile
CID 10966062
(6E)-3-methylocta-1,6-diene
CID 14140905
(1E)-5-chlorohepta-1,6-dien-1-ol
CID 142805814
acetic acid;octa-1,6-dien-3-ol
CID 161210848
deca-1,6-dien-3-ol
CID 56622854
3,9-dimethyldeca-1,6-diene
CID 173018442
5-iodopent-4-enoxy(dimethyl)silane
CID 123990847
(E)-1-iodopentadec-1-ene
CID 13225447
5-ethenyldeca-2,8-diene-1,10-diamine
CID 74060050
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959

Frequently Asked Questions

What is the IUPAC name of 1,5-diiodohepta-1,6-diene?
The IUPAC name of 1,5-diiodohepta-1,6-diene (CID 173353545) is 1,5-diiodohepta-1,6-diene.
What is the SMILES notation for 1,5-diiodohepta-1,6-diene?
The canonical SMILES for 1,5-diiodohepta-1,6-diene is C=CC(I)CCC=CI.
What is the InChIKey of 1,5-diiodohepta-1,6-diene?
The InChIKey is DXSWRDFCZMHNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10I2/c1-2-7(9)5-3-4-6-8/h2,4,6-7H,1,3,5H2.
What are the key properties of 1,5-diiodohepta-1,6-diene?
1,5-diiodohepta-1,6-diene has a molecular weight of 347.97 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diiodohepta-1,6-diene is sourced from PubChem (CID 173353545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).