2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane

C14H25BrO — CID 14303349

IUPAC2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane
SMILESCC(C)(C)C1CCC2(CCC(CBr)O2)CC1
InChIInChI=1S/C14H25BrO/c1-13(2,3)11-4-7-14(8-5-11)9-6-12(10-15)16-14/h11-12H,4-10H2,1-3H3
InChIKeyDDFJSBNBEKLKGE-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.54
Rot. Bonds1

About 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane

2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane (PubChem CID 14303349) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane
PubChem CID14303349
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane
SMILESCC(C)(C)C1CCC2(CCC(CBr)O2)CC1
InChIInChI=1S/C14H25BrO/c1-13(2,3)11-4-7-14(8-5-11)9-6-12(10-15)16-14/h11-12H,4-10H2,1-3H3
InChIKeyDDFJSBNBEKLKGE-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane?
The IUPAC name of 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane (CID 14303349) is 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane is CC(C)(C)C1CCC2(CCC(CBr)O2)CC1.
What is the InChIKey of 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane?
The InChIKey is DDFJSBNBEKLKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-13(2,3)11-4-7-14(8-5-11)9-6-12(10-15)16-14/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane?
2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane has a molecular weight of 289.26 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-8-tert-butyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 14303349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).