1,7-dichlorocycloheptene

C7H10Cl2 — CID 14949805

IUPAC1,7-dichlorocycloheptene
SMILESClC1=CCCCCC1Cl
InChIInChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7(6)9/h4,7H,1-3,5H2
InChIKeySACDLOCWKGIRLN-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.29
Rot. Bonds

About 1,7-dichlorocycloheptene

1,7-dichlorocycloheptene (PubChem CID 14949805) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1,7-dichlorocycloheptene.

Molecular Properties

Compound Name1,7-dichlorocycloheptene
PubChem CID14949805
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1,7-dichlorocycloheptene
SMILESClC1=CCCCCC1Cl
InChIInChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7(6)9/h4,7H,1-3,5H2
InChIKeySACDLOCWKGIRLN-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-dichlorocycloheptene?
The IUPAC name of 1,7-dichlorocycloheptene (CID 14949805) is 1,7-dichlorocycloheptene.
What is the SMILES notation for 1,7-dichlorocycloheptene?
The canonical SMILES for 1,7-dichlorocycloheptene is ClC1=CCCCCC1Cl.
What is the InChIKey of 1,7-dichlorocycloheptene?
The InChIKey is SACDLOCWKGIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7(6)9/h4,7H,1-3,5H2.
What are the key properties of 1,7-dichlorocycloheptene?
1,7-dichlorocycloheptene has a molecular weight of 165.06 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dichlorocycloheptene is sourced from PubChem (CID 14949805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).