1-iodo-4-methylidenehexa-1,5-diene

C7H9I — CID 173281600

IUPAC1-iodo-4-methylidenehexa-1,5-diene
SMILESC=CC(=C)CC=CI
InChIInChI=1S/C7H9I/c1-3-7(2)5-4-6-8/h3-4,6H,1-2,5H2
InChIKeyHDXOTUAHTQOVGO-UHFFFAOYSA-N
MW220.05 g/mol
LogP3.07
Rot. Bonds3

About 1-iodo-4-methylidenehexa-1,5-diene

1-iodo-4-methylidenehexa-1,5-diene (PubChem CID 173281600) has the molecular formula C7H9I and a molecular weight of 220.05 g/mol. Its IUPAC name is 1-iodo-4-methylidenehexa-1,5-diene.

Molecular Properties

Compound Name1-iodo-4-methylidenehexa-1,5-diene
PubChem CID173281600
Molecular FormulaC7H9I
Molecular Weight220.05 g/mol
Exact Mass219.97
IUPAC Name1-iodo-4-methylidenehexa-1,5-diene
SMILESC=CC(=C)CC=CI
InChIInChI=1S/C7H9I/c1-3-7(2)5-4-6-8/h3-4,6H,1-2,5H2
InChIKeyHDXOTUAHTQOVGO-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 53.07
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

(3E)-2,2-dimethyl-6-methylideneocta-3,7-dienenitrile
CID 139481114
[(3E)-2-methyl-6-methylideneocta-3,7-dien-2-yl] acetate
CID 12783294
3-methylidenepent-1-ene
CID 18850
2-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
tris(2-methylidenebut-3-enyl)alumane
CID 16688714
(1E)-1-iodo-3-methylidenepenta-1,4-diene
CID 88942119
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
1-iodo-4-propan-2-ylideneoct-1-ene
CID 173431402
2-(trifluoromethoxymethyl)buta-1,3-diene
CID 59097403
3-ethenyl-5-methylidenehepta-1,6-diene
CID 100997926
(E)-4-iodobut-3-en-1-ol
CID 10821775
tris(prop-2-enoic acid);silyloxysilane
CID 175696616

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methylidenehexa-1,5-diene?
The IUPAC name of 1-iodo-4-methylidenehexa-1,5-diene (CID 173281600) is 1-iodo-4-methylidenehexa-1,5-diene.
What is the SMILES notation for 1-iodo-4-methylidenehexa-1,5-diene?
The canonical SMILES for 1-iodo-4-methylidenehexa-1,5-diene is C=CC(=C)CC=CI.
What is the InChIKey of 1-iodo-4-methylidenehexa-1,5-diene?
The InChIKey is HDXOTUAHTQOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9I/c1-3-7(2)5-4-6-8/h3-4,6H,1-2,5H2.
What are the key properties of 1-iodo-4-methylidenehexa-1,5-diene?
1-iodo-4-methylidenehexa-1,5-diene has a molecular weight of 220.05 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methylidenehexa-1,5-diene is sourced from PubChem (CID 173281600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).