1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane

C10H16Br2O — CID 11723010

IUPAC1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane
SMILESBrCC1CC2(CCCCC2)C(Br)O1
InChIInChI=1S/C10H16Br2O/c11-7-8-6-10(9(12)13-8)4-2-1-3-5-10/h8-9H,1-7H2
InChIKeyLJVDFSUDQQSYLT-UHFFFAOYSA-N
MW312.05 g/mol
LogP3.84
Rot. Bonds1

About 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane

1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane (PubChem CID 11723010) has the molecular formula C10H16Br2O and a molecular weight of 312.05 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane
PubChem CID11723010
Molecular FormulaC10H16Br2O
Molecular Weight312.05 g/mol
Exact Mass309.96
IUPAC Name1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane
SMILESBrCC1CC2(CCCCC2)C(Br)O1
InChIInChI=1S/C10H16Br2O/c11-7-8-6-10(9(12)13-8)4-2-1-3-5-10/h8-9H,1-7H2
InChIKeyLJVDFSUDQQSYLT-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Bromomethyl)-2-oxaspiro(4.5)decane
CID 86015011
2-(Bromomethyl)-1-oxaspiro[4.5]decane
CID 14560570
2-(Bromomethyl)-4-cyclohexyloxolane
CID 19864362
2-(7-Bromo-2,2-dimethylheptyl)oxane
CID 66616986
2-(5-Bromo-2,2-dimethylpentyl)oxane
CID 66617081
2-(6-Bromo-2,2-dimethylhexyl)oxane
CID 69790276
2-[2-(Bromomethyl)-2-methylpentyl]oxane
CID 140052027
4-(8-Bromooctoxy)-1,1-dimethylcyclohexane
CID 141315098
4-Bromo-2-oxaspiro[4.5]decane
CID 11276018
(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane
CID 23635966
2-[(2-Bromocyclohexyl)methyl]oxolane
CID 62550189
2-(3-Bromo-4,4-dimethylpentyl)oxolane
CID 62550529

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane?
The IUPAC name of 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane (CID 11723010) is 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane.
What is the SMILES notation for 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane?
The canonical SMILES for 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane is BrCC1CC2(CCCCC2)C(Br)O1.
What is the InChIKey of 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane?
The InChIKey is LJVDFSUDQQSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2O/c11-7-8-6-10(9(12)13-8)4-2-1-3-5-10/h8-9H,1-7H2.
What are the key properties of 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane?
1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane has a molecular weight of 312.05 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(bromomethyl)-2-oxaspiro[4.5]decane is sourced from PubChem (CID 11723010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).