6,6-dichlorobicyclo[3.1.0]hexan-2-ol

C6H8Cl2O — CID 130143776

IUPAC6,6-dichlorobicyclo[3.1.0]hexan-2-ol
SMILESOC1CCC2C1C2(Cl)Cl
InChIInChI=1S/C6H8Cl2O/c7-6(8)3-1-2-4(9)5(3)6/h3-5,9H,1-2H2
InChIKeyZCENONOSTPOVRI-UHFFFAOYSA-N
MW167.03 g/mol
LogP1.56
Rot. Bonds

About 6,6-dichlorobicyclo[3.1.0]hexan-2-ol

6,6-dichlorobicyclo[3.1.0]hexan-2-ol (PubChem CID 130143776) has the molecular formula C6H8Cl2O and a molecular weight of 167.03 g/mol. Its IUPAC name is 6,6-dichlorobicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name6,6-dichlorobicyclo[3.1.0]hexan-2-ol
PubChem CID130143776
Molecular FormulaC6H8Cl2O
Molecular Weight167.03 g/mol
Exact Mass166.00
IUPAC Name6,6-dichlorobicyclo[3.1.0]hexan-2-ol
SMILESOC1CCC2C1C2(Cl)Cl
InChIInChI=1S/C6H8Cl2O/c7-6(8)3-1-2-4(9)5(3)6/h3-5,9H,1-2H2
InChIKeyZCENONOSTPOVRI-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.03
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dichlorobicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 6,6-dichlorobicyclo[3.1.0]hexan-2-ol (CID 130143776) is 6,6-dichlorobicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 6,6-dichlorobicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 6,6-dichlorobicyclo[3.1.0]hexan-2-ol is OC1CCC2C1C2(Cl)Cl.
What is the InChIKey of 6,6-dichlorobicyclo[3.1.0]hexan-2-ol?
The InChIKey is ZCENONOSTPOVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O/c7-6(8)3-1-2-4(9)5(3)6/h3-5,9H,1-2H2.
What are the key properties of 6,6-dichlorobicyclo[3.1.0]hexan-2-ol?
6,6-dichlorobicyclo[3.1.0]hexan-2-ol has a molecular weight of 167.03 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichlorobicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130143776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).