2-(chloromethyl)spiro[2.2]pentane

C6H9Cl — CID 55303394

IUPAC2-(chloromethyl)spiro[2.2]pentane
SMILESClCC1CC12CC2
InChIInChI=1S/C6H9Cl/c7-4-5-3-6(5)1-2-6/h5H,1-4H2
InChIKeyJVHMYKZLLOCRKE-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.03
Rot. Bonds1

About 2-(chloromethyl)spiro[2.2]pentane

2-(chloromethyl)spiro[2.2]pentane (PubChem CID 55303394) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 2-(chloromethyl)spiro[2.2]pentane.

Molecular Properties

Compound Name2-(chloromethyl)spiro[2.2]pentane
PubChem CID55303394
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name2-(chloromethyl)spiro[2.2]pentane
SMILESClCC1CC12CC2
InChIInChI=1S/C6H9Cl/c7-4-5-3-6(5)1-2-6/h5H,1-4H2
InChIKeyJVHMYKZLLOCRKE-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-(chloromethyl)spiro[2.2]pentane?
The IUPAC name of 2-(chloromethyl)spiro[2.2]pentane (CID 55303394) is 2-(chloromethyl)spiro[2.2]pentane.
What is the SMILES notation for 2-(chloromethyl)spiro[2.2]pentane?
The canonical SMILES for 2-(chloromethyl)spiro[2.2]pentane is ClCC1CC12CC2.
What is the InChIKey of 2-(chloromethyl)spiro[2.2]pentane?
The InChIKey is JVHMYKZLLOCRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c7-4-5-3-6(5)1-2-6/h5H,1-4H2.
What are the key properties of 2-(chloromethyl)spiro[2.2]pentane?
2-(chloromethyl)spiro[2.2]pentane has a molecular weight of 116.59 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)spiro[2.2]pentane is sourced from PubChem (CID 55303394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).