1,2-dichlorocycloheptene

C7H10Cl2 — CID 10511230

IUPAC1,2-dichlorocycloheptene
SMILESClC1=C(Cl)CCCCC1
InChIInChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7(6)9/h1-5H2
InChIKeyYWTYLGXZMFRHLF-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.64
Rot. Bonds

About 1,2-dichlorocycloheptene

1,2-dichlorocycloheptene (PubChem CID 10511230) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1,2-dichlorocycloheptene.

Molecular Properties

Compound Name1,2-dichlorocycloheptene
PubChem CID10511230
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1,2-dichlorocycloheptene
SMILESClC1=C(Cl)CCCCC1
InChIInChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7(6)9/h1-5H2
InChIKeyYWTYLGXZMFRHLF-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorocycloheptene?
The IUPAC name of 1,2-dichlorocycloheptene (CID 10511230) is 1,2-dichlorocycloheptene.
What is the SMILES notation for 1,2-dichlorocycloheptene?
The canonical SMILES for 1,2-dichlorocycloheptene is ClC1=C(Cl)CCCCC1.
What is the InChIKey of 1,2-dichlorocycloheptene?
The InChIKey is YWTYLGXZMFRHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7(6)9/h1-5H2.
What are the key properties of 1,2-dichlorocycloheptene?
1,2-dichlorocycloheptene has a molecular weight of 165.06 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorocycloheptene is sourced from PubChem (CID 10511230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).