8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane

C10H17BrO2 — CID 154083903

IUPAC8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane
SMILESCC1(C)CC2(COC(CBr)C2)CO1
InChIInChI=1S/C10H17BrO2/c1-9(2)5-10(7-13-9)3-8(4-11)12-6-10/h8H,3-7H2,1-2H3
InChIKeyJHRNSFFXSHOHPJ-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.36
Rot. Bonds1

About 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane

8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane (PubChem CID 154083903) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane
PubChem CID154083903
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane
SMILESCC1(C)CC2(COC(CBr)C2)CO1
InChIInChI=1S/C10H17BrO2/c1-9(2)5-10(7-13-9)3-8(4-11)12-6-10/h8H,3-7H2,1-2H3
InChIKeyJHRNSFFXSHOHPJ-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane?
The IUPAC name of 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane (CID 154083903) is 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane?
The canonical SMILES for 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane is CC1(C)CC2(COC(CBr)C2)CO1.
What is the InChIKey of 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane?
The InChIKey is JHRNSFFXSHOHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-9(2)5-10(7-13-9)3-8(4-11)12-6-10/h8H,3-7H2,1-2H3.
What are the key properties of 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane?
8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane has a molecular weight of 249.15 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(bromomethyl)-3,3-dimethyl-2,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 154083903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).