3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane

C14H25BrO — CID 66346170

IUPAC3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane
SMILESCCC(C)(C)OC1CC(Br)C12CCCCC2
InChIInChI=1S/C14H25BrO/c1-4-13(2,3)16-12-10-11(15)14(12)8-6-5-7-9-14/h11-12H,4-10H2,1-3H3
InChIKeyJODLVTDKSLPYDY-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.68
Rot. Bonds3

About 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane

3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane (PubChem CID 66346170) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane
PubChem CID66346170
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane
SMILESCCC(C)(C)OC1CC(Br)C12CCCCC2
InChIInChI=1S/C14H25BrO/c1-4-13(2,3)16-12-10-11(15)14(12)8-6-5-7-9-14/h11-12H,4-10H2,1-3H3
InChIKeyJODLVTDKSLPYDY-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine
CID 66359457
3-bromo-1-ethoxyspiro[3.4]octane
CID 66346132
3-bromo-1-(2,2,2-trifluoroethoxy)spiro[3.6]decane
CID 66345296
3-bromo-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988701
3-bromo-1-(2-methylpropoxy)spiro[3.4]octane
CID 66346348
3-bromo-1-(2-ethylcyclohexyl)oxyspiro[3.5]nonane
CID 66344665
3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723537
3-bromo-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66344082
3-bromo-1-(4,4,4-trifluorobutoxy)spiro[3.5]nonane
CID 82795387
3-bromo-1-(4-tert-butylphenoxy)spiro[3.4]octane
CID 66345048
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
3-bromo-1-(3,3,3-trifluoropropoxy)spiro[3.4]octane
CID 82956875

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane?
The IUPAC name of 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane (CID 66346170) is 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane.
What is the SMILES notation for 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane?
The canonical SMILES for 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane is CCC(C)(C)OC1CC(Br)C12CCCCC2.
What is the InChIKey of 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane?
The InChIKey is JODLVTDKSLPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-4-13(2,3)16-12-10-11(15)14(12)8-6-5-7-9-14/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane?
3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane has a molecular weight of 289.26 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane is sourced from PubChem (CID 66346170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).