7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol

C7H8Cl2O — CID 548737

IUPAC7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
SMILESOC1C2CC=CC2C1(Cl)Cl
InChIInChI=1S/C7H8Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-6,10H,2H2
InChIKeyKABGHGOJIFFLJD-UHFFFAOYSA-N
MW179.05 g/mol
LogP1.73
Rot. Bonds

About 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol

7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol (PubChem CID 548737) has the molecular formula C7H8Cl2O and a molecular weight of 179.05 g/mol. Its IUPAC name is 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol.

Molecular Properties

Compound Name7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
PubChem CID548737
Molecular FormulaC7H8Cl2O
Molecular Weight179.05 g/mol
Exact Mass178.00
IUPAC Name7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
SMILESOC1C2CC=CC2C1(Cl)Cl
InChIInChI=1S/C7H8Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-6,10H,2H2
InChIKeyKABGHGOJIFFLJD-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
The IUPAC name of 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol (CID 548737) is 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol.
What is the SMILES notation for 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
The canonical SMILES for 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol is OC1C2CC=CC2C1(Cl)Cl.
What is the InChIKey of 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
The InChIKey is KABGHGOJIFFLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-6,10H,2H2.
What are the key properties of 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol has a molecular weight of 179.05 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol is sourced from PubChem (CID 548737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).