(4Z)-6-iodo-4-methylhexa-1,4-diene

C7H11I — CID 89280235

IUPAC(4Z)-6-iodo-4-methylhexa-1,4-diene
SMILESC=CC/C(C)=C\CI
InChIInChI=1S/C7H11I/c1-3-4-7(2)5-6-8/h3,5H,1,4,6H2,2H3/b7-5-
InChIKeyCFMBPNAWZYMSNU-ALCCZGGFSA-N
MW222.07 g/mol
LogP2.94
Rot. Bonds3

About (4Z)-6-iodo-4-methylhexa-1,4-diene

(4Z)-6-iodo-4-methylhexa-1,4-diene (PubChem CID 89280235) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is (4Z)-6-iodo-4-methylhexa-1,4-diene.

Molecular Properties

Compound Name(4Z)-6-iodo-4-methylhexa-1,4-diene
PubChem CID89280235
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name(4Z)-6-iodo-4-methylhexa-1,4-diene
SMILESC=CC/C(C)=C\CI
InChIInChI=1S/C7H11I/c1-3-4-7(2)5-6-8/h3,5H,1,4,6H2,2H3/b7-5-
InChIKeyCFMBPNAWZYMSNU-ALCCZGGFSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.94
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

(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
4,6-dimethylocta-1,4,6-triene
CID 123877249
(2E)-3-methylhexa-2,5-dienal
CID 88529058
(5Z)-6-methylnona-5,8-dien-3-ol
CID 59545208
3,6-dimethylnona-1,3,5,8-tetraene
CID 90934144
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
CID 144887209
(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 175339928
[(1E)-2-methylpenta-1,4-dienyl]-di(propan-2-yloxy)borane
CID 102168063
3,7-dimethyldeca-3,6,9-trien-2-amine
CID 123138602

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-iodo-4-methylhexa-1,4-diene?
The IUPAC name of (4Z)-6-iodo-4-methylhexa-1,4-diene (CID 89280235) is (4Z)-6-iodo-4-methylhexa-1,4-diene.
What is the SMILES notation for (4Z)-6-iodo-4-methylhexa-1,4-diene?
The canonical SMILES for (4Z)-6-iodo-4-methylhexa-1,4-diene is C=CC/C(C)=C\CI.
What is the InChIKey of (4Z)-6-iodo-4-methylhexa-1,4-diene?
The InChIKey is CFMBPNAWZYMSNU-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H11I/c1-3-4-7(2)5-6-8/h3,5H,1,4,6H2,2H3/b7-5-.
What are the key properties of (4Z)-6-iodo-4-methylhexa-1,4-diene?
(4Z)-6-iodo-4-methylhexa-1,4-diene has a molecular weight of 222.07 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-iodo-4-methylhexa-1,4-diene is sourced from PubChem (CID 89280235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).