(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol

C8H10Cl2O — CID 14127271

IUPAC(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
SMILESO[C@H]1[C@H]2CCC=C[C@H]2C1(Cl)Cl
InChIInChI=1S/C8H10Cl2O/c9-8(10)6-4-2-1-3-5(6)7(8)11/h2,4-7,11H,1,3H2/t5-,6+,7-/m0/s1
InChIKeyJWKPCYKHRDJOPU-XVMARJQXSA-N
MW193.07 g/mol
LogP2.12
Rot. Bonds

About (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol

(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol (PubChem CID 14127271) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol.

Molecular Properties

Compound Name(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
PubChem CID14127271
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
SMILESO[C@H]1[C@H]2CCC=C[C@H]2C1(Cl)Cl
InChIInChI=1S/C8H10Cl2O/c9-8(10)6-4-2-1-3-5(6)7(8)11/h2,4-7,11H,1,3H2/t5-,6+,7-/m0/s1
InChIKeyJWKPCYKHRDJOPU-XVMARJQXSA-N
XLogP2.12
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 ≤ 52.12
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 (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
The IUPAC name of (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol (CID 14127271) is (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol.
What is the SMILES notation for (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
The canonical SMILES for (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol is O[C@H]1[C@H]2CCC=C[C@H]2C1(Cl)Cl.
What is the InChIKey of (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
The InChIKey is JWKPCYKHRDJOPU-XVMARJQXSA-N. The full InChI is InChI=1S/C8H10Cl2O/c9-8(10)6-4-2-1-3-5(6)7(8)11/h2,4-7,11H,1,3H2/t5-,6+,7-/m0/s1.
What are the key properties of (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol?
(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol has a molecular weight of 193.07 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol is sourced from PubChem (CID 14127271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).