2-(bromomethyl)-8-methylspiro[2.5]octane

C10H17Br — CID 81351055

IUPAC2-(bromomethyl)-8-methylspiro[2.5]octane
SMILESCC1CCCCC12CC2CBr
InChIInChI=1S/C10H17Br/c1-8-4-2-3-5-10(8)6-9(10)7-11/h8-9H,2-7H2,1H3
InChIKeyYYAGTIQMIYGEDX-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.60
Rot. Bonds1

About 2-(bromomethyl)-8-methylspiro[2.5]octane

2-(bromomethyl)-8-methylspiro[2.5]octane (PubChem CID 81351055) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-(bromomethyl)-8-methylspiro[2.5]octane.

Molecular Properties

Compound Name2-(bromomethyl)-8-methylspiro[2.5]octane
PubChem CID81351055
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name2-(bromomethyl)-8-methylspiro[2.5]octane
SMILESCC1CCCCC12CC2CBr
InChIInChI=1S/C10H17Br/c1-8-4-2-3-5-10(8)6-9(10)7-11/h8-9H,2-7H2,1H3
InChIKeyYYAGTIQMIYGEDX-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-8-methylspiro[2.5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 62712621
11-methylspiro[5.5]undecan-5-amine
CID 138665061
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
1,1-difluoro-2-methylcyclohexane
CID 15044189
(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
CID 83980314
1,1-dibromo-2-methylcycloheptane
CID 70854356
bis[2-(bromomethyl)-1-methylcyclohexyl]methanone
CID 67713362
(9R)-9-methylspiro[3.5]nonane
CID 140885739
2-methylspiro[2.4]heptan-7-amine
CID 146817135
1,1,2-trimethylcycloundecane
CID 544748
1,2-dimethylspiro[2.4]heptane
CID 58548907
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-8-methylspiro[2.5]octane?
The IUPAC name of 2-(bromomethyl)-8-methylspiro[2.5]octane (CID 81351055) is 2-(bromomethyl)-8-methylspiro[2.5]octane.
What is the SMILES notation for 2-(bromomethyl)-8-methylspiro[2.5]octane?
The canonical SMILES for 2-(bromomethyl)-8-methylspiro[2.5]octane is CC1CCCCC12CC2CBr.
What is the InChIKey of 2-(bromomethyl)-8-methylspiro[2.5]octane?
The InChIKey is YYAGTIQMIYGEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-8-4-2-3-5-10(8)6-9(10)7-11/h8-9H,2-7H2,1H3.
What are the key properties of 2-(bromomethyl)-8-methylspiro[2.5]octane?
2-(bromomethyl)-8-methylspiro[2.5]octane has a molecular weight of 217.15 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-8-methylspiro[2.5]octane is sourced from PubChem (CID 81351055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).