2-(bromomethyl)-6-ethylspiro[2.5]octane

C11H19Br — CID 81351534

IUPAC2-(bromomethyl)-6-ethylspiro[2.5]octane
SMILESCCC1CCC2(CC1)CC2CBr
InChIInChI=1S/C11H19Br/c1-2-9-3-5-11(6-4-9)7-10(11)8-12/h9-10H,2-8H2,1H3
InChIKeyYQSWUVIFDKYUGZ-UHFFFAOYSA-N
MW231.18 g/mol
LogP3.99
Rot. Bonds2

About 2-(bromomethyl)-6-ethylspiro[2.5]octane

2-(bromomethyl)-6-ethylspiro[2.5]octane (PubChem CID 81351534) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-(bromomethyl)-6-ethylspiro[2.5]octane.

Molecular Properties

Compound Name2-(bromomethyl)-6-ethylspiro[2.5]octane
PubChem CID81351534
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name2-(bromomethyl)-6-ethylspiro[2.5]octane
SMILESCCC1CCC2(CC1)CC2CBr
InChIInChI=1S/C11H19Br/c1-2-9-3-5-11(6-4-9)7-10(11)8-12/h9-10H,2-8H2,1H3
InChIKeyYQSWUVIFDKYUGZ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 53.99
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

N-[(6-ethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 62712279
(3R)-7-ethyl-3-methylspiro[3.5]nonane
CID 163822270
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
CID 65087341
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680
2-(bromomethyl)dispiro[2.2.46.23]dodecane
CID 114821420
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
ethane;ethylcyclopropane
CID 91380076
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
CID 64516469
2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
CID 107430677
(2R)-2-ethylspiro[2.4]heptane
CID 147630807
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-ethylspiro[2.5]octane?
The IUPAC name of 2-(bromomethyl)-6-ethylspiro[2.5]octane (CID 81351534) is 2-(bromomethyl)-6-ethylspiro[2.5]octane.
What is the SMILES notation for 2-(bromomethyl)-6-ethylspiro[2.5]octane?
The canonical SMILES for 2-(bromomethyl)-6-ethylspiro[2.5]octane is CCC1CCC2(CC1)CC2CBr.
What is the InChIKey of 2-(bromomethyl)-6-ethylspiro[2.5]octane?
The InChIKey is YQSWUVIFDKYUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-2-9-3-5-11(6-4-9)7-10(11)8-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-(bromomethyl)-6-ethylspiro[2.5]octane?
2-(bromomethyl)-6-ethylspiro[2.5]octane has a molecular weight of 231.18 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-ethylspiro[2.5]octane is sourced from PubChem (CID 81351534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).