8-(2-bromoethyl)spiro[2.5]octane

C10H17Br — CID 155822592

IUPAC8-(2-bromoethyl)spiro[2.5]octane
SMILESBrCCC1CCCCC12CC2
InChIInChI=1S/C10H17Br/c11-8-4-9-3-1-2-5-10(9)6-7-10/h9H,1-8H2
InChIKeyTWBIPRCSRQLMFH-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.74
Rot. Bonds2

About 8-(2-bromoethyl)spiro[2.5]octane

8-(2-bromoethyl)spiro[2.5]octane (PubChem CID 155822592) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 8-(2-bromoethyl)spiro[2.5]octane.

Molecular Properties

Compound Name8-(2-bromoethyl)spiro[2.5]octane
PubChem CID155822592
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name8-(2-bromoethyl)spiro[2.5]octane
SMILESBrCCC1CCCCC12CC2
InChIInChI=1S/C10H17Br/c11-8-4-9-3-1-2-5-10(9)6-7-10/h9H,1-8H2
InChIKeyTWBIPRCSRQLMFH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.74
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 8-(2-bromoethyl)spiro[2.5]octane?
The IUPAC name of 8-(2-bromoethyl)spiro[2.5]octane (CID 155822592) is 8-(2-bromoethyl)spiro[2.5]octane.
What is the SMILES notation for 8-(2-bromoethyl)spiro[2.5]octane?
The canonical SMILES for 8-(2-bromoethyl)spiro[2.5]octane is BrCCC1CCCCC12CC2.
What is the InChIKey of 8-(2-bromoethyl)spiro[2.5]octane?
The InChIKey is TWBIPRCSRQLMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c11-8-4-9-3-1-2-5-10(9)6-7-10/h9H,1-8H2.
What are the key properties of 8-(2-bromoethyl)spiro[2.5]octane?
8-(2-bromoethyl)spiro[2.5]octane has a molecular weight of 217.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromoethyl)spiro[2.5]octane is sourced from PubChem (CID 155822592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).