2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane

C12H21Br — CID 107450751

IUPAC2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane
SMILESCC(C)C1CCCC2(C1)CC2CBr
InChIInChI=1S/C12H21Br/c1-9(2)10-4-3-5-12(6-10)7-11(12)8-13/h9-11H,3-8H2,1-2H3
InChIKeyYDPWMUQJRFPMKT-UHFFFAOYSA-N
MW245.20 g/mol
LogP4.23
Rot. Bonds2

About 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane

2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane (PubChem CID 107450751) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane.

Molecular Properties

Compound Name2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane
PubChem CID107450751
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane
SMILESCC(C)C1CCCC2(C1)CC2CBr
InChIInChI=1S/C12H21Br/c1-9(2)10-4-3-5-12(6-10)7-11(12)8-13/h9-11H,3-8H2,1-2H3
InChIKeyYDPWMUQJRFPMKT-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.23
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-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
CID 107430677
2-ethyl-6-propan-2-ylspiro[2.4]heptane
CID 123260811
(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
CID 161061988
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
2-(bromomethyl)-6-ethylspiro[2.5]octane
CID 81351534
(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine
CID 62707779
10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione
CID 107450691
5-(3-bromophenyl)-10-propan-2-yl-3-azaspiro[5.5]undecane
CID 107450706
1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
CID 107449674
2-(bromomethyl)dispiro[2.2.46.23]dodecane
CID 114821420
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane
CID 134862351

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane?
The IUPAC name of 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane (CID 107450751) is 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane.
What is the SMILES notation for 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane?
The canonical SMILES for 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane is CC(C)C1CCCC2(C1)CC2CBr.
What is the InChIKey of 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane?
The InChIKey is YDPWMUQJRFPMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c1-9(2)10-4-3-5-12(6-10)7-11(12)8-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane?
2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane has a molecular weight of 245.20 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-propan-2-ylspiro[2.5]octane is sourced from PubChem (CID 107450751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).