7-chloro-1-iodohept-2-ene

C7H12ClI — CID 171472241

IUPAC7-chloro-1-iodohept-2-ene
SMILESClCCCCC=CCI
InChIInChI=1S/C7H12ClI/c8-6-4-2-1-3-5-7-9/h3,5H,1-2,4,6-7H2
InChIKeyBPMNXRKTHBBRJU-UHFFFAOYSA-N
MW258.53 g/mol
LogP3.39
Rot. Bonds5

About 7-chloro-1-iodohept-2-ene

7-chloro-1-iodohept-2-ene (PubChem CID 171472241) has the molecular formula C7H12ClI and a molecular weight of 258.53 g/mol. Its IUPAC name is 7-chloro-1-iodohept-2-ene.

Molecular Properties

Compound Name7-chloro-1-iodohept-2-ene
PubChem CID171472241
Molecular FormulaC7H12ClI
Molecular Weight258.53 g/mol
Exact Mass257.97
IUPAC Name7-chloro-1-iodohept-2-ene
SMILESClCCCCC=CCI
InChIInChI=1S/C7H12ClI/c8-6-4-2-1-3-5-7-9/h3,5H,1-2,4,6-7H2
InChIKeyBPMNXRKTHBBRJU-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.53
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-iodohept-2-ene?
The IUPAC name of 7-chloro-1-iodohept-2-ene (CID 171472241) is 7-chloro-1-iodohept-2-ene.
What is the SMILES notation for 7-chloro-1-iodohept-2-ene?
The canonical SMILES for 7-chloro-1-iodohept-2-ene is ClCCCCC=CCI.
What is the InChIKey of 7-chloro-1-iodohept-2-ene?
The InChIKey is BPMNXRKTHBBRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClI/c8-6-4-2-1-3-5-7-9/h3,5H,1-2,4,6-7H2.
What are the key properties of 7-chloro-1-iodohept-2-ene?
7-chloro-1-iodohept-2-ene has a molecular weight of 258.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-iodohept-2-ene is sourced from PubChem (CID 171472241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).