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

C14H25ClO2 — CID 66344774

IUPAC3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane
SMILESCCCOCCOC1CC(Cl)C12CCCCC2
InChIInChI=1S/C14H25ClO2/c1-2-8-16-9-10-17-13-11-12(15)14(13)6-4-3-5-7-14/h12-13H,2-11H2,1H3
InChIKeyWJWHHRDQKICKRD-UHFFFAOYSA-N
MW260.80 g/mol
LogP3.76
Rot. Bonds6

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

3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane (PubChem CID 66344774) has the molecular formula C14H25ClO2 and a molecular weight of 260.80 g/mol. Its IUPAC name is 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane
PubChem CID66344774
Molecular FormulaC14H25ClO2
Molecular Weight260.80 g/mol
Exact Mass260.15
IUPAC Name3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane
SMILESCCCOCCOC1CC(Cl)C12CCCCC2
InChIInChI=1S/C14H25ClO2/c1-2-8-16-9-10-17-13-11-12(15)14(13)6-4-3-5-7-14/h12-13H,2-11H2,1H3
InChIKeyWJWHHRDQKICKRD-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.80
LogP ≤ 53.76
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-propoxyethoxy)spiro[3.5]nonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane (CID 66344774) is 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane is CCCOCCOC1CC(Cl)C12CCCCC2.
What is the InChIKey of 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane?
The InChIKey is WJWHHRDQKICKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO2/c1-2-8-16-9-10-17-13-11-12(15)14(13)6-4-3-5-7-14/h12-13H,2-11H2,1H3.
What are the key properties of 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane?
3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane has a molecular weight of 260.80 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-propoxyethoxy)spiro[3.5]nonane is sourced from PubChem (CID 66344774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).