2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane

C15H25ClO2 — CID 66345307

IUPAC2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane
SMILESClC1CC(OCC2CCCCO2)C12CCCCC2
InChIInChI=1S/C15H25ClO2/c16-13-10-14(15(13)7-3-1-4-8-15)18-11-12-6-2-5-9-17-12/h12-14H,1-11H2
InChIKeyZSRWZYIUMYHBBE-UHFFFAOYSA-N
MW272.82 g/mol
LogP3.90
Rot. Bonds3

About 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane

2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane (PubChem CID 66345307) has the molecular formula C15H25ClO2 and a molecular weight of 272.82 g/mol. Its IUPAC name is 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane.

Molecular Properties

Compound Name2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane
PubChem CID66345307
Molecular FormulaC15H25ClO2
Molecular Weight272.82 g/mol
Exact Mass272.15
IUPAC Name2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane
SMILESClC1CC(OCC2CCCCO2)C12CCCCC2
InChIInChI=1S/C15H25ClO2/c16-13-10-14(15(13)7-3-1-4-8-15)18-11-12-6-2-5-9-17-12/h12-14H,1-11H2
InChIKeyZSRWZYIUMYHBBE-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane?
The IUPAC name of 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane (CID 66345307) is 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane.
What is the SMILES notation for 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane?
The canonical SMILES for 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane is ClC1CC(OCC2CCCCO2)C12CCCCC2.
What is the InChIKey of 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane?
The InChIKey is ZSRWZYIUMYHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2/c16-13-10-14(15(13)7-3-1-4-8-15)18-11-12-6-2-5-9-17-12/h12-14H,1-11H2.
What are the key properties of 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane?
2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane has a molecular weight of 272.82 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorospiro[3.5]nonan-1-yl)oxymethyl]oxane is sourced from PubChem (CID 66345307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).