(1E)-1-iodo-3-methylidenepenta-1,4-diene

C6H7I — CID 88942119

IUPAC(1E)-1-iodo-3-methylidenepenta-1,4-diene
SMILESC=CC(=C)/C=C/I
InChIInChI=1S/C6H7I/c1-3-6(2)4-5-7/h3-5H,1-2H2/b5-4+
InChIKeyVOKBJKZAZKNMFY-SNAWJCMRSA-N
MW206.03 g/mol
LogP2.68
Rot. Bonds2

About (1E)-1-iodo-3-methylidenepenta-1,4-diene

(1E)-1-iodo-3-methylidenepenta-1,4-diene (PubChem CID 88942119) has the molecular formula C6H7I and a molecular weight of 206.03 g/mol. Its IUPAC name is (1E)-1-iodo-3-methylidenepenta-1,4-diene.

Molecular Properties

Compound Name(1E)-1-iodo-3-methylidenepenta-1,4-diene
PubChem CID88942119
Molecular FormulaC6H7I
Molecular Weight206.03 g/mol
Exact Mass205.96
IUPAC Name(1E)-1-iodo-3-methylidenepenta-1,4-diene
SMILESC=CC(=C)/C=C/I
InChIInChI=1S/C6H7I/c1-3-6(2)4-5-7/h3-5H,1-2H2/b5-4+
InChIKeyVOKBJKZAZKNMFY-SNAWJCMRSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.68
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

(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
buta-1,3-diene;3-methylidenepenta-1,4-diene
CID 173305203
(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine
CID 163623672
1-iodo-4-methylidenehexa-1,5-diene
CID 173281600
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
(1Z,4Z,6Z)-8-methylidenedeca-1,4,6,9-tetraen-1-amine
CID 134238863
(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
CID 138723097
(1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene
CID 134446336
N-ethenyl-2-methylidenebut-3-en-1-imine
CID 91316553
but-3-en-2-one;methane;3-methylbut-3-en-2-one
CID 159829669
3-methylbut-3-en-2-one;prop-2-enal
CID 118509414
(4E,6E,8E)-2,6-dimethyl-10-methylidenedodeca-1,4,6,8,11-pentaene
CID 91108049

Frequently Asked Questions

What is the IUPAC name of (1E)-1-iodo-3-methylidenepenta-1,4-diene?
The IUPAC name of (1E)-1-iodo-3-methylidenepenta-1,4-diene (CID 88942119) is (1E)-1-iodo-3-methylidenepenta-1,4-diene.
What is the SMILES notation for (1E)-1-iodo-3-methylidenepenta-1,4-diene?
The canonical SMILES for (1E)-1-iodo-3-methylidenepenta-1,4-diene is C=CC(=C)/C=C/I.
What is the InChIKey of (1E)-1-iodo-3-methylidenepenta-1,4-diene?
The InChIKey is VOKBJKZAZKNMFY-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H7I/c1-3-6(2)4-5-7/h3-5H,1-2H2/b5-4+.
What are the key properties of (1E)-1-iodo-3-methylidenepenta-1,4-diene?
(1E)-1-iodo-3-methylidenepenta-1,4-diene has a molecular weight of 206.03 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-iodo-3-methylidenepenta-1,4-diene is sourced from PubChem (CID 88942119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).