4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane

C15H25BrO2 — CID 66343511

IUPAC4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane
SMILESBrC1CC(OCC2CCOCC2)C12CCCCC2
InChIInChI=1S/C15H25BrO2/c16-13-10-14(15(13)6-2-1-3-7-15)18-11-12-4-8-17-9-5-12/h12-14H,1-11H2
InChIKeyCCAKOQSWNMDMPU-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.92
Rot. Bonds3

About 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane

4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane (PubChem CID 66343511) has the molecular formula C15H25BrO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane.

Molecular Properties

Compound Name4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane
PubChem CID66343511
Molecular FormulaC15H25BrO2
Molecular Weight317.27 g/mol
Exact Mass316.10
IUPAC Name4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane
SMILESBrC1CC(OCC2CCOCC2)C12CCCCC2
InChIInChI=1S/C15H25BrO2/c16-13-10-14(15(13)6-2-1-3-7-15)18-11-12-4-8-17-9-5-12/h12-14H,1-11H2
InChIKeyCCAKOQSWNMDMPU-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromospiro[3.4]octan-1-yl)oxymethyl]oxolane
CID 66343412
4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane
CID 66343303
3-bromo-1-ethoxyspiro[3.4]octane
CID 66346132
3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
CID 114249127
3-bromo-1-(2,2,2-trifluoroethoxy)spiro[3.6]decane
CID 66345296
3-bromo-1-(2-methylpropoxy)spiro[3.4]octane
CID 66346348
4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
CID 62382188
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
3-bromo-1-(4,4,4-trifluorobutoxy)spiro[3.5]nonane
CID 82795387
3-bromo-1-(3,3,3-trifluoropropoxy)spiro[3.4]octane
CID 82956875
3-bromo-1-[(4-chlorophenyl)methoxy]spiro[3.6]decane
CID 66343727
N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
CID 66350255

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane?
The IUPAC name of 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane (CID 66343511) is 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane.
What is the SMILES notation for 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane?
The canonical SMILES for 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane is BrC1CC(OCC2CCOCC2)C12CCCCC2.
What is the InChIKey of 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane?
The InChIKey is CCAKOQSWNMDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2/c16-13-10-14(15(13)6-2-1-3-7-15)18-11-12-4-8-17-9-5-12/h12-14H,1-11H2.
What are the key properties of 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane?
4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane has a molecular weight of 317.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane is sourced from PubChem (CID 66343511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).