(1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol

C7H8Cl2O — CID 11298288

IUPAC(1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
SMILESO[C@@H]1[C@H]2CC=C[C@H]2C1(Cl)Cl
InChIInChI=1S/C7H8Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-6,10H,2H2/t4-,5+,6+/m0/s1
InChIKeyKABGHGOJIFFLJD-KVQBGUIXSA-N
MW179.05 g/mol
LogP1.73
Rot. Bonds

About (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol

(1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol (PubChem CID 11298288) has the molecular formula C7H8Cl2O and a molecular weight of 179.05 g/mol. Its IUPAC name is (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol.

Molecular Properties

Compound Name(1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
PubChem CID11298288
Molecular FormulaC7H8Cl2O
Molecular Weight179.05 g/mol
Exact Mass178.00
IUPAC Name(1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
SMILESO[C@@H]1[C@H]2CC=C[C@H]2C1(Cl)Cl
InChIInChI=1S/C7H8Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-6,10H,2H2/t4-,5+,6+/m0/s1
InChIKeyKABGHGOJIFFLJD-KVQBGUIXSA-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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Related Compounds

Bicyclo[3.2.0]hept-2-en-6-ol
CID 10866282
Endo-bicyclo(3,2,0)hept-2-en-6-ol
CID 11116010
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol
CID 130908196
(+/-)-8,8-Dichlorobicyclo[4.2.0]oct-3-en-7-ol
CID 155801693
7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-ol
CID 548737
1-(2-Cyclohexen-1-yl)-2,2,2-trichloroethanol
CID 12418397
(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14127271
(1S,6R,7R)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14127272
(1R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 53956929
(1S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 57108664
(4Z)-10,10-dichlorobicyclo[6.2.0]dec-4-en-9-ol
CID 129274187

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
The IUPAC name of (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol (CID 11298288) is (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol.
What is the SMILES notation for (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
The canonical SMILES for (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol is O[C@@H]1[C@H]2CC=C[C@H]2C1(Cl)Cl.
What is the InChIKey of (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
The InChIKey is KABGHGOJIFFLJD-KVQBGUIXSA-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/t4-,5+,6+/m0/s1.
What are the key properties of (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol?
(1R,5S,6R)-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 (1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol is sourced from PubChem (CID 11298288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).