1,3,7-trichlorohept-3-ene

C7H11Cl3 — CID 72727246

IUPAC1,3,7-trichlorohept-3-ene
SMILESClCCCC=C(Cl)CCCl
InChIInChI=1S/C7H11Cl3/c8-5-2-1-3-7(10)4-6-9/h3H,1-2,4-6H2
InChIKeyVLTMBKZPVQLVBT-UHFFFAOYSA-N
MW201.52 g/mol
LogP3.76
Rot. Bonds5

About 1,3,7-trichlorohept-3-ene

1,3,7-trichlorohept-3-ene (PubChem CID 72727246) has the molecular formula C7H11Cl3 and a molecular weight of 201.52 g/mol. Its IUPAC name is 1,3,7-trichlorohept-3-ene.

Molecular Properties

Compound Name1,3,7-trichlorohept-3-ene
PubChem CID72727246
Molecular FormulaC7H11Cl3
Molecular Weight201.52 g/mol
Exact Mass199.99
IUPAC Name1,3,7-trichlorohept-3-ene
SMILESClCCCC=C(Cl)CCCl
InChIInChI=1S/C7H11Cl3/c8-5-2-1-3-7(10)4-6-9/h3H,1-2,4-6H2
InChIKeyVLTMBKZPVQLVBT-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.52
LogP ≤ 53.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-trichlorohept-3-ene?
The IUPAC name of 1,3,7-trichlorohept-3-ene (CID 72727246) is 1,3,7-trichlorohept-3-ene.
What is the SMILES notation for 1,3,7-trichlorohept-3-ene?
The canonical SMILES for 1,3,7-trichlorohept-3-ene is ClCCCC=C(Cl)CCCl.
What is the InChIKey of 1,3,7-trichlorohept-3-ene?
The InChIKey is VLTMBKZPVQLVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl3/c8-5-2-1-3-7(10)4-6-9/h3H,1-2,4-6H2.
What are the key properties of 1,3,7-trichlorohept-3-ene?
1,3,7-trichlorohept-3-ene has a molecular weight of 201.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trichlorohept-3-ene is sourced from PubChem (CID 72727246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).