(Z)-1-iodohept-2-en-4-yne

C7H9I — CID 89149324

IUPAC(Z)-1-iodohept-2-en-4-yne
SMILESCCC#C/C=C\CI
InChIInChI=1S/C7H9I/c1-2-3-4-5-6-7-8/h5-6H,2,7H2,1H3/b6-5-
InChIKeyAGHKVGSGLJCGEJ-WAYWQWQTSA-N
MW220.05 g/mol
LogP2.39
Rot. Bonds1

About (Z)-1-iodohept-2-en-4-yne

(Z)-1-iodohept-2-en-4-yne (PubChem CID 89149324) has the molecular formula C7H9I and a molecular weight of 220.05 g/mol. Its IUPAC name is (Z)-1-iodohept-2-en-4-yne.

Molecular Properties

Compound Name(Z)-1-iodohept-2-en-4-yne
PubChem CID89149324
Molecular FormulaC7H9I
Molecular Weight220.05 g/mol
Exact Mass219.97
IUPAC Name(Z)-1-iodohept-2-en-4-yne
SMILESCCC#C/C=C\CI
InChIInChI=1S/C7H9I/c1-2-3-4-5-6-7-8/h5-6H,2,7H2,1H3/b6-5-
InChIKeyAGHKVGSGLJCGEJ-WAYWQWQTSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.39
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-iodohept-2-en-4-yne?
The IUPAC name of (Z)-1-iodohept-2-en-4-yne (CID 89149324) is (Z)-1-iodohept-2-en-4-yne.
What is the SMILES notation for (Z)-1-iodohept-2-en-4-yne?
The canonical SMILES for (Z)-1-iodohept-2-en-4-yne is CCC#C/C=C\CI.
What is the InChIKey of (Z)-1-iodohept-2-en-4-yne?
The InChIKey is AGHKVGSGLJCGEJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H9I/c1-2-3-4-5-6-7-8/h5-6H,2,7H2,1H3/b6-5-.
What are the key properties of (Z)-1-iodohept-2-en-4-yne?
(Z)-1-iodohept-2-en-4-yne has a molecular weight of 220.05 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iodohept-2-en-4-yne is sourced from PubChem (CID 89149324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).