3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane

C11H19ClO2 — CID 66346140

IUPAC3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
SMILESCOCCOC1CC(Cl)C12CCCC2
InChIInChI=1S/C11H19ClO2/c1-13-6-7-14-10-8-9(12)11(10)4-2-3-5-11/h9-10H,2-8H2,1H3
InChIKeyCUCBIQYZLKEPMD-UHFFFAOYSA-N
MW218.72 g/mol
LogP2.59
Rot. Bonds4

About 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane

3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane (PubChem CID 66346140) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane.

Molecular Properties

Compound Name3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
PubChem CID66346140
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
SMILESCOCCOC1CC(Cl)C12CCCC2
InChIInChI=1S/C11H19ClO2/c1-13-6-7-14-10-8-9(12)11(10)4-2-3-5-11/h9-10H,2-8H2,1H3
InChIKeyCUCBIQYZLKEPMD-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane
CID 66346345
3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
CID 82009453
3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
CID 103408106
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469
3-chloro-1-(2-ethylhexoxy)spiro[3.4]octane
CID 66344483
3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
CID 103176206
3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane
CID 66343590
3-chloro-1-cycloheptyloxyspiro[3.6]decane
CID 66345621
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319
3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988681

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane?
The IUPAC name of 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane (CID 66346140) is 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane.
What is the SMILES notation for 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane?
The canonical SMILES for 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane is COCCOC1CC(Cl)C12CCCC2.
What is the InChIKey of 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane?
The InChIKey is CUCBIQYZLKEPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-13-6-7-14-10-8-9(12)11(10)4-2-3-5-11/h9-10H,2-8H2,1H3.
What are the key properties of 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane?
3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane has a molecular weight of 218.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane is sourced from PubChem (CID 66346140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).