5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol

C7H11ClO — CID 72770286

IUPAC5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol
SMILESOC1(CCCl)C2CCC21
InChIInChI=1S/C7H11ClO/c8-4-3-7(9)5-1-2-6(5)7/h5-6,9H,1-4H2
InChIKeyIOWUZWABECHTIK-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.39
Rot. Bonds2

About 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol

5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol (PubChem CID 72770286) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol.

Molecular Properties

Compound Name5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol
PubChem CID72770286
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol
SMILESOC1(CCCl)C2CCC21
InChIInChI=1S/C7H11ClO/c8-4-3-7(9)5-1-2-6(5)7/h5-6,9H,1-4H2
InChIKeyIOWUZWABECHTIK-UHFFFAOYSA-N
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.39
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 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol?
The IUPAC name of 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol (CID 72770286) is 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol.
What is the SMILES notation for 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol?
The canonical SMILES for 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol is OC1(CCCl)C2CCC21.
What is the InChIKey of 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol?
The InChIKey is IOWUZWABECHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c8-4-3-7(9)5-1-2-6(5)7/h5-6,9H,1-4H2.
What are the key properties of 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol?
5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol has a molecular weight of 146.62 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)bicyclo[2.1.0]pentan-5-ol is sourced from PubChem (CID 72770286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).