6-(2-bromoethyl)spiro[2.3]hexane

C8H13Br — CID 167247847

IUPAC6-(2-bromoethyl)spiro[2.3]hexane
SMILESBrCCC1CCC12CC2
InChIInChI=1S/C8H13Br/c9-6-2-7-1-3-8(7)4-5-8/h7H,1-6H2
InChIKeyYGEOAXUDNWHBMF-UHFFFAOYSA-N
MW189.10 g/mol
LogP2.96
Rot. Bonds2

About 6-(2-bromoethyl)spiro[2.3]hexane

6-(2-bromoethyl)spiro[2.3]hexane (PubChem CID 167247847) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is 6-(2-bromoethyl)spiro[2.3]hexane.

Molecular Properties

Compound Name6-(2-bromoethyl)spiro[2.3]hexane
PubChem CID167247847
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name6-(2-bromoethyl)spiro[2.3]hexane
SMILESBrCCC1CCC12CC2
InChIInChI=1S/C8H13Br/c9-6-2-7-1-3-8(7)4-5-8/h7H,1-6H2
InChIKeyYGEOAXUDNWHBMF-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-spiro[2.3]hexan-6-ylacetic acid
CID 121207798
spiro[3.3]heptan-3-ylmethanamine;hydrochloride
CID 139026678
2-(3-bromopropyl)cyclobutane-1,1-dicarboxylic acid
CID 174970169
2-spiro[3.5]nonan-9-ylethanamine
CID 83905636
[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554
spiro[2.4]heptan-7-ylmethanol
CID 149455832
2-(bromomethyl)-6-ethylspiro[2.5]octane
CID 81351534
3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
CID 57072074
[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol
CID 176672026
4-(2-bromoethyl)cyclohexan-1-amine
CID 68903730
7-ethyl-2-oxaspiro[3.3]heptane
CID 162428852
(5S,8S,9S,10S,13R,14S,17S)-17-(2-bromoethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 140981764

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethyl)spiro[2.3]hexane?
The IUPAC name of 6-(2-bromoethyl)spiro[2.3]hexane (CID 167247847) is 6-(2-bromoethyl)spiro[2.3]hexane.
What is the SMILES notation for 6-(2-bromoethyl)spiro[2.3]hexane?
The canonical SMILES for 6-(2-bromoethyl)spiro[2.3]hexane is BrCCC1CCC12CC2.
What is the InChIKey of 6-(2-bromoethyl)spiro[2.3]hexane?
The InChIKey is YGEOAXUDNWHBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br/c9-6-2-7-1-3-8(7)4-5-8/h7H,1-6H2.
What are the key properties of 6-(2-bromoethyl)spiro[2.3]hexane?
6-(2-bromoethyl)spiro[2.3]hexane has a molecular weight of 189.10 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)spiro[2.3]hexane is sourced from PubChem (CID 167247847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).