8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol

C8H10Cl2O — CID 155801693

IUPAC8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol
SMILESOC1C2CC=CCC2C1(Cl)Cl
InChIInChI=1S/C8H10Cl2O/c9-8(10)6-4-2-1-3-5(6)7(8)11/h1-2,5-7,11H,3-4H2
InChIKeyLPPBKFKDEYQCMH-UHFFFAOYSA-N
MW193.07 g/mol
LogP2.12
Rot. Bonds

About 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol

8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol (PubChem CID 155801693) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol.

Molecular Properties

Compound Name8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol
PubChem CID155801693
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol
SMILESOC1C2CC=CCC2C1(Cl)Cl
InChIInChI=1S/C8H10Cl2O/c9-8(10)6-4-2-1-3-5(6)7(8)11/h1-2,5-7,11H,3-4H2
InChIKeyLPPBKFKDEYQCMH-UHFFFAOYSA-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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Related Compounds

1-Hydroxy-2-(trichloromethyl)cyclododecadi-ene-5,9
CID 129773489
7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-ol
CID 548737
1-(2-Cyclohexen-1-yl)-2,2,2-trichloroethanol
CID 12418397
2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol
CID 13238505
(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
2,2,2-trichloro-1-[(2E)-cyclododec-2-en-1-yl]ethanol
CID 20294057
1-(2-Cycloocten-1-yl)-2,2,2-trichloroethanol
CID 53739337
2,2,2-Trichloro-1-cyclododec-2-en-1-ylethanol
CID 53787949
1,2-Dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 70425911
4,5-Dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 70425913
(4Z)-10,10-dichlorobicyclo[6.2.0]dec-4-en-9-ol
CID 129274187

Frequently Asked Questions

What is the IUPAC name of 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol?
The IUPAC name of 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol (CID 155801693) is 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol.
What is the SMILES notation for 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol?
The canonical SMILES for 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol is OC1C2CC=CCC2C1(Cl)Cl.
What is the InChIKey of 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol?
The InChIKey is LPPBKFKDEYQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O/c9-8(10)6-4-2-1-3-5(6)7(8)11/h1-2,5-7,11H,3-4H2.
What are the key properties of 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol?
8,8-dichlorobicyclo[4.2.0]oct-3-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 8,8-dichlorobicyclo[4.2.0]oct-3-en-7-ol is sourced from PubChem (CID 155801693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).