(3Z)-4-ethenyl-7-iodoocta-1,3-diene

C10H15I — CID 142018025

IUPAC(3Z)-4-ethenyl-7-iodoocta-1,3-diene
SMILESC=C/C=C(\C=C)CCC(C)I
InChIInChI=1S/C10H15I/c1-4-6-10(5-2)8-7-9(3)11/h4-6,9H,1-2,7-8H2,3H3/b10-6+
InChIKeyGSBAKDDZBDQWCN-UXBLZVDNSA-N
MW262.13 g/mol
LogP3.89
Rot. Bonds5

About (3Z)-4-ethenyl-7-iodoocta-1,3-diene

(3Z)-4-ethenyl-7-iodoocta-1,3-diene (PubChem CID 142018025) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is (3Z)-4-ethenyl-7-iodoocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethenyl-7-iodoocta-1,3-diene
PubChem CID142018025
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name(3Z)-4-ethenyl-7-iodoocta-1,3-diene
SMILESC=C/C=C(\C=C)CCC(C)I
InChIInChI=1S/C10H15I/c1-4-6-10(5-2)8-7-9(3)11/h4-6,9H,1-2,7-8H2,3H3/b10-6+
InChIKeyGSBAKDDZBDQWCN-UXBLZVDNSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.89
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
CID 134400841
(4Z)-4-ethenyl-1-phenylhepta-4,6-dien-1-ol
CID 142924342
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
CID 145342446
(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512259
ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512258

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-7-iodoocta-1,3-diene?
The IUPAC name of (3Z)-4-ethenyl-7-iodoocta-1,3-diene (CID 142018025) is (3Z)-4-ethenyl-7-iodoocta-1,3-diene.
What is the SMILES notation for (3Z)-4-ethenyl-7-iodoocta-1,3-diene?
The canonical SMILES for (3Z)-4-ethenyl-7-iodoocta-1,3-diene is C=C/C=C(\C=C)CCC(C)I.
What is the InChIKey of (3Z)-4-ethenyl-7-iodoocta-1,3-diene?
The InChIKey is GSBAKDDZBDQWCN-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H15I/c1-4-6-10(5-2)8-7-9(3)11/h4-6,9H,1-2,7-8H2,3H3/b10-6+.
What are the key properties of (3Z)-4-ethenyl-7-iodoocta-1,3-diene?
(3Z)-4-ethenyl-7-iodoocta-1,3-diene has a molecular weight of 262.13 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-7-iodoocta-1,3-diene is sourced from PubChem (CID 142018025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).