cycloheptene;dihydrochloride

C7H14Cl2 — CID 70441281

IUPACcycloheptene;dihydrochloride
SMILESC1=CCCCCC1.Cl.Cl
InChIInChI=1S/C7H12.2ClH/c1-2-4-6-7-5-3-1;;/h1-2H,3-7H2;2*1H
InChIKeyOXNHQXWQSSWCOS-UHFFFAOYSA-N
MW169.09 g/mol
LogP3.35
Rot. Bonds

About cycloheptene;dihydrochloride

cycloheptene;dihydrochloride (PubChem CID 70441281) has the molecular formula C7H14Cl2 and a molecular weight of 169.09 g/mol. Its IUPAC name is cycloheptene;dihydrochloride.

Molecular Properties

Compound Namecycloheptene;dihydrochloride
PubChem CID70441281
Molecular FormulaC7H14Cl2
Molecular Weight169.09 g/mol
Exact Mass168.05
IUPAC Namecycloheptene;dihydrochloride
SMILESC1=CCCCCC1.Cl.Cl
InChIInChI=1S/C7H12.2ClH/c1-2-4-6-7-5-3-1;;/h1-2H,3-7H2;2*1H
InChIKeyOXNHQXWQSSWCOS-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.09
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cycloheptene;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cycloheptene;dihydrochloride?
The IUPAC name of cycloheptene;dihydrochloride (CID 70441281) is cycloheptene;dihydrochloride.
What is the SMILES notation for cycloheptene;dihydrochloride?
The canonical SMILES for cycloheptene;dihydrochloride is C1=CCCCCC1.Cl.Cl.
What is the InChIKey of cycloheptene;dihydrochloride?
The InChIKey is OXNHQXWQSSWCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.2ClH/c1-2-4-6-7-5-3-1;;/h1-2H,3-7H2;2*1H.
What are the key properties of cycloheptene;dihydrochloride?
cycloheptene;dihydrochloride has a molecular weight of 169.09 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptene;dihydrochloride is sourced from PubChem (CID 70441281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).