4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol

C8H10Cl2O — CID 70425913

IUPAC4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol
SMILESOC1CC2C=CC(Cl)C(Cl)C12
InChIInChI=1S/C8H10Cl2O/c9-5-2-1-4-3-6(11)7(4)8(5)10/h1-2,4-8,11H,3H2
InChIKeyXCJOBTXHORDPCH-UHFFFAOYSA-N
MW193.07 g/mol
LogP1.77
Rot. Bonds

About 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol

4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol (PubChem CID 70425913) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol.

Molecular Properties

Compound Name4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol
PubChem CID70425913
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol
SMILESOC1CC2C=CC(Cl)C(Cl)C12
InChIInChI=1S/C8H10Cl2O/c9-5-2-1-4-3-6(11)7(4)8(5)10/h1-2,4-8,11H,3H2
InChIKeyXCJOBTXHORDPCH-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 51.77
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 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
The IUPAC name of 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol (CID 70425913) is 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol.
What is the SMILES notation for 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
The canonical SMILES for 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol is OC1CC2C=CC(Cl)C(Cl)C12.
What is the InChIKey of 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
The InChIKey is XCJOBTXHORDPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O/c9-5-2-1-4-3-6(11)7(4)8(5)10/h1-2,4-8,11H,3H2.
What are the key properties of 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol has a molecular weight of 193.07 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorobicyclo[4.2.0]oct-2-en-7-ol is sourced from PubChem (CID 70425913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).