7-iodohept-1-ene

C7H13I — CID 10632882

IUPAC7-iodohept-1-ene
SMILESC=CCCCCCI
InChIInChI=1S/C7H13I/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKeyFAGSTZYMNCELHI-UHFFFAOYSA-N
MW224.08 g/mol
LogP3.17
Rot. Bonds5

About 7-iodohept-1-ene

7-iodohept-1-ene (PubChem CID 10632882) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 7-iodohept-1-ene.

Molecular Properties

Compound Name7-iodohept-1-ene
PubChem CID10632882
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name7-iodohept-1-ene
SMILESC=CCCCCCI
InChIInChI=1S/C7H13I/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKeyFAGSTZYMNCELHI-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

heptacosa-1,26-diene
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heptadeca-1,16-diene
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icosa-1,9,19-triene
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heptahexaconta-1,23,66-triene
CID 57275880
10-iododeca-1,3-diene
CID 168861651
9-iodonona-1,5-diene
CID 163737903
hexadec-15-enylsilane
CID 123559639
heptadec-16-en-1-amine
CID 15590771
henicos-20-enal
CID 14559831
tridec-12-enal
CID 57284057
octadec-1-ene;tetradec-1-ene
CID 158470925
octadeca-1,17-diene;tetradec-1-ene
CID 173070986

Frequently Asked Questions

What is the IUPAC name of 7-iodohept-1-ene?
The IUPAC name of 7-iodohept-1-ene (CID 10632882) is 7-iodohept-1-ene.
What is the SMILES notation for 7-iodohept-1-ene?
The canonical SMILES for 7-iodohept-1-ene is C=CCCCCCI.
What is the InChIKey of 7-iodohept-1-ene?
The InChIKey is FAGSTZYMNCELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-2-3-4-5-6-7-8/h2H,1,3-7H2.
What are the key properties of 7-iodohept-1-ene?
7-iodohept-1-ene has a molecular weight of 224.08 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodohept-1-ene is sourced from PubChem (CID 10632882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).