2-(chloromethyl)-6,6-dimethylspiro[2.5]octane

C11H19Cl — CID 81357302

IUPAC2-(chloromethyl)-6,6-dimethylspiro[2.5]octane
SMILESCC1(C)CCC2(CC1)CC2CCl
InChIInChI=1S/C11H19Cl/c1-10(2)3-5-11(6-4-10)7-9(11)8-12/h9H,3-8H2,1-2H3
InChIKeyQSWTUBVAROZNGX-UHFFFAOYSA-N
MW186.73 g/mol
LogP3.83
Rot. Bonds1

About 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane

2-(chloromethyl)-6,6-dimethylspiro[2.5]octane (PubChem CID 81357302) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane.

Molecular Properties

Compound Name2-(chloromethyl)-6,6-dimethylspiro[2.5]octane
PubChem CID81357302
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name2-(chloromethyl)-6,6-dimethylspiro[2.5]octane
SMILESCC1(C)CCC2(CC1)CC2CCl
InChIInChI=1S/C11H19Cl/c1-10(2)3-5-11(6-4-10)7-9(11)8-12/h9H,3-8H2,1-2H3
InChIKeyQSWTUBVAROZNGX-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 53.83
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)-6,6-dimethylspiro[2.5]octane?
The IUPAC name of 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane (CID 81357302) is 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane.
What is the SMILES notation for 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane?
The canonical SMILES for 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane is CC1(C)CCC2(CC1)CC2CCl.
What is the InChIKey of 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane?
The InChIKey is QSWTUBVAROZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-10(2)3-5-11(6-4-10)7-9(11)8-12/h9H,3-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane?
2-(chloromethyl)-6,6-dimethylspiro[2.5]octane has a molecular weight of 186.73 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,6-dimethylspiro[2.5]octane is sourced from PubChem (CID 81357302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).