3-bromo-1-ethoxyspiro[3.4]octane

C10H17BrO — CID 66346132

IUPAC3-bromo-1-ethoxyspiro[3.4]octane
SMILESCCOC1CC(Br)C12CCCC2
InChIInChI=1S/C10H17BrO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7H2,1H3
InChIKeyOQUUEQQNHVJTOU-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.12
Rot. Bonds2

About 3-bromo-1-ethoxyspiro[3.4]octane

3-bromo-1-ethoxyspiro[3.4]octane (PubChem CID 66346132) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-bromo-1-ethoxyspiro[3.4]octane.

Molecular Properties

Compound Name3-bromo-1-ethoxyspiro[3.4]octane
PubChem CID66346132
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name3-bromo-1-ethoxyspiro[3.4]octane
SMILESCCOC1CC(Br)C12CCCC2
InChIInChI=1S/C10H17BrO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7H2,1H3
InChIKeyOQUUEQQNHVJTOU-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.12
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

3-bromo-1-(2-methylpropoxy)spiro[3.4]octane
CID 66346348
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
3-bromo-1-(2,2,2-trifluoroethoxy)spiro[3.6]decane
CID 66345296
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane
CID 66346170
3-bromo-1-(3,3,3-trifluoropropoxy)spiro[3.4]octane
CID 82956875
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-bromo-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988701
4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane
CID 66343511
3-bromo-1-(4,4,4-trifluorobutoxy)spiro[3.5]nonane
CID 82795387

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethoxyspiro[3.4]octane?
The IUPAC name of 3-bromo-1-ethoxyspiro[3.4]octane (CID 66346132) is 3-bromo-1-ethoxyspiro[3.4]octane.
What is the SMILES notation for 3-bromo-1-ethoxyspiro[3.4]octane?
The canonical SMILES for 3-bromo-1-ethoxyspiro[3.4]octane is CCOC1CC(Br)C12CCCC2.
What is the InChIKey of 3-bromo-1-ethoxyspiro[3.4]octane?
The InChIKey is OQUUEQQNHVJTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-bromo-1-ethoxyspiro[3.4]octane?
3-bromo-1-ethoxyspiro[3.4]octane has a molecular weight of 233.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethoxyspiro[3.4]octane is sourced from PubChem (CID 66346132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).