2-(bromomethyl)-5-ethoxyspiro[2.3]hexane

C9H15BrO — CID 106824984

IUPAC2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
SMILESCCOC1CC2(C1)CC2CBr
InChIInChI=1S/C9H15BrO/c1-2-11-8-4-9(5-8)3-7(9)6-10/h7-8H,2-6H2,1H3
InChIKeyQDGHFCBGVFDLDI-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.59
Rot. Bonds3

About 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane

2-(bromomethyl)-5-ethoxyspiro[2.3]hexane (PubChem CID 106824984) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane.

Molecular Properties

Compound Name2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
PubChem CID106824984
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
SMILESCCOC1CC2(C1)CC2CBr
InChIInChI=1S/C9H15BrO/c1-2-11-8-4-9(5-8)3-7(9)6-10/h7-8H,2-6H2,1H3
InChIKeyQDGHFCBGVFDLDI-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.59
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

(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824123
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 106824127
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
CID 106824129
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
1-bromo-3-ethoxycyclobutane-1-carbonitrile
CID 106824047
2-(bromomethyl)-6-ethylspiro[2.5]octane
CID 81351534
1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile
CID 106823949
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
6-ethoxy-1-azaspiro[3.3]heptane
CID 106824536
3-ethoxyazetidine
CID 22507733
1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane?
The IUPAC name of 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane (CID 106824984) is 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane.
What is the SMILES notation for 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane?
The canonical SMILES for 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane is CCOC1CC2(C1)CC2CBr.
What is the InChIKey of 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane?
The InChIKey is QDGHFCBGVFDLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c1-2-11-8-4-9(5-8)3-7(9)6-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane?
2-(bromomethyl)-5-ethoxyspiro[2.3]hexane has a molecular weight of 219.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-ethoxyspiro[2.3]hexane is sourced from PubChem (CID 106824984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).