(4Z)-4-iodohexa-1,4-diene

C6H9I — CID 88547743

IUPAC(4Z)-4-iodohexa-1,4-diene
SMILESC=CC/C(I)=C/C
InChIInChI=1S/C6H9I/c1-3-5-6(7)4-2/h3-4H,1,5H2,2H3/b6-4-
InChIKeyNUSRBHZFYCTWBW-XQRVVYSFSA-N
MW208.04 g/mol
LogP2.90
Rot. Bonds2

About (4Z)-4-iodohexa-1,4-diene

(4Z)-4-iodohexa-1,4-diene (PubChem CID 88547743) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is (4Z)-4-iodohexa-1,4-diene.

Molecular Properties

Compound Name(4Z)-4-iodohexa-1,4-diene
PubChem CID88547743
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name(4Z)-4-iodohexa-1,4-diene
SMILESC=CC/C(I)=C/C
InChIInChI=1S/C6H9I/c1-3-5-6(7)4-2/h3-4H,1,5H2,2H3/b6-4-
InChIKeyNUSRBHZFYCTWBW-XQRVVYSFSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-iodohexa-2,5-dien-1-ol
CID 101020716
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
4,6-dimethylocta-1,4,6-triene
CID 123877249
4-ethenylhexa-1,4-diene
CID 85441048
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(5E)-5-bromohepta-1,5-diene
CID 163878412
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
3-ethylidene-2-methylhex-5-enoic acid
CID 173012377
(4Z)-4-(methoxymethoxy)hexa-1,4-diene
CID 100937483
4-ethylideneundeca-1,5,7,9-tetraene
CID 151010728

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-iodohexa-1,4-diene?
The IUPAC name of (4Z)-4-iodohexa-1,4-diene (CID 88547743) is (4Z)-4-iodohexa-1,4-diene.
What is the SMILES notation for (4Z)-4-iodohexa-1,4-diene?
The canonical SMILES for (4Z)-4-iodohexa-1,4-diene is C=CC/C(I)=C/C.
What is the InChIKey of (4Z)-4-iodohexa-1,4-diene?
The InChIKey is NUSRBHZFYCTWBW-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H9I/c1-3-5-6(7)4-2/h3-4H,1,5H2,2H3/b6-4-.
What are the key properties of (4Z)-4-iodohexa-1,4-diene?
(4Z)-4-iodohexa-1,4-diene has a molecular weight of 208.04 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-iodohexa-1,4-diene is sourced from PubChem (CID 88547743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).