1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane

C15H27ClO2 — CID 66344906

IUPAC1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane
SMILESCCCCOCCOC1CC(Cl)C12CCCCC2
InChIInChI=1S/C15H27ClO2/c1-2-3-9-17-10-11-18-14-12-13(16)15(14)7-5-4-6-8-15/h13-14H,2-12H2,1H3
InChIKeyBAWDWHYQWOVFHM-UHFFFAOYSA-N
MW274.83 g/mol
LogP4.15
Rot. Bonds7

About 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane

1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane (PubChem CID 66344906) has the molecular formula C15H27ClO2 and a molecular weight of 274.83 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane
PubChem CID66344906
Molecular FormulaC15H27ClO2
Molecular Weight274.83 g/mol
Exact Mass274.17
IUPAC Name1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane
SMILESCCCCOCCOC1CC(Cl)C12CCCCC2
InChIInChI=1S/C15H27ClO2/c1-2-3-9-17-10-11-18-14-12-13(16)15(14)7-5-4-6-8-15/h13-14H,2-12H2,1H3
InChIKeyBAWDWHYQWOVFHM-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.83
LogP ≤ 54.15
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 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane?
The IUPAC name of 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane (CID 66344906) is 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane?
The canonical SMILES for 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane is CCCCOCCOC1CC(Cl)C12CCCCC2.
What is the InChIKey of 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane?
The InChIKey is BAWDWHYQWOVFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO2/c1-2-3-9-17-10-11-18-14-12-13(16)15(14)7-5-4-6-8-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane?
1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane has a molecular weight of 274.83 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-chlorospiro[3.5]nonane is sourced from PubChem (CID 66344906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).