2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane

C13H23Br — CID 107430677

IUPAC2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
SMILESCC(C)CC1CCCC2(C1)CC2CBr
InChIInChI=1S/C13H23Br/c1-10(2)6-11-4-3-5-13(7-11)8-12(13)9-14/h10-12H,3-9H2,1-2H3
InChIKeyICYCWKXXGLLKMT-UHFFFAOYSA-N
MW259.23 g/mol
LogP4.62
Rot. Bonds3

About 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane

2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane (PubChem CID 107430677) has the molecular formula C13H23Br and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane.

Molecular Properties

Compound Name2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
PubChem CID107430677
Molecular FormulaC13H23Br
Molecular Weight259.23 g/mol
Exact Mass258.10
IUPAC Name2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
SMILESCC(C)CC1CCCC2(C1)CC2CBr
InChIInChI=1S/C13H23Br/c1-10(2)6-11-4-3-5-13(7-11)8-12(13)9-14/h10-12H,3-9H2,1-2H3
InChIKeyICYCWKXXGLLKMT-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane?
The IUPAC name of 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane (CID 107430677) is 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane.
What is the SMILES notation for 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane?
The canonical SMILES for 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane is CC(C)CC1CCCC2(C1)CC2CBr.
What is the InChIKey of 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane?
The InChIKey is ICYCWKXXGLLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br/c1-10(2)6-11-4-3-5-13(7-11)8-12(13)9-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane?
2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane has a molecular weight of 259.23 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane is sourced from PubChem (CID 107430677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).