3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane

C13H23ClO2 — CID 66343400

IUPAC3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane
SMILESCCOCCOC1CC(Cl)C12CCCCC2
InChIInChI=1S/C13H23ClO2/c1-2-15-8-9-16-12-10-11(14)13(12)6-4-3-5-7-13/h11-12H,2-10H2,1H3
InChIKeyYHUAKZMVBMPNKY-UHFFFAOYSA-N
MW246.78 g/mol
LogP3.37
Rot. Bonds5

About 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane

3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane (PubChem CID 66343400) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane
PubChem CID66343400
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Name3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane
SMILESCCOCCOC1CC(Cl)C12CCCCC2
InChIInChI=1S/C13H23ClO2/c1-2-15-8-9-16-12-10-11(14)13(12)6-4-3-5-7-13/h11-12H,2-10H2,1H3
InChIKeyYHUAKZMVBMPNKY-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 53.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane (CID 66343400) is 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane is CCOCCOC1CC(Cl)C12CCCCC2.
What is the InChIKey of 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane?
The InChIKey is YHUAKZMVBMPNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO2/c1-2-15-8-9-16-12-10-11(14)13(12)6-4-3-5-7-13/h11-12H,2-10H2,1H3.
What are the key properties of 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane?
3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane has a molecular weight of 246.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-ethoxyethoxy)spiro[3.5]nonane is sourced from PubChem (CID 66343400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).