2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane

C15H25BrO2 — CID 102902198

IUPAC2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
SMILESBrCC1(CC2CCC3(CCCCC3)O2)CCOC1
InChIInChI=1S/C15H25BrO2/c16-11-14(8-9-17-12-14)10-13-4-7-15(18-13)5-2-1-3-6-15/h13H,1-12H2
InChIKeyFPSIZCQCAOTZCS-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.06
Rot. Bonds3

About 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane

2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane (PubChem CID 102902198) has the molecular formula C15H25BrO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
PubChem CID102902198
Molecular FormulaC15H25BrO2
Molecular Weight317.27 g/mol
Exact Mass316.10
IUPAC Name2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
SMILESBrCC1(CC2CCC3(CCCCC3)O2)CCOC1
InChIInChI=1S/C15H25BrO2/c16-11-14(8-9-17-12-14)10-13-4-7-15(18-13)5-2-1-3-6-15/h13H,1-12H2
InChIKeyFPSIZCQCAOTZCS-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
CID 102902111
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900401
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902363
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
The IUPAC name of 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane (CID 102902198) is 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane is BrCC1(CC2CCC3(CCCCC3)O2)CCOC1.
What is the InChIKey of 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
The InChIKey is FPSIZCQCAOTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2/c16-11-14(8-9-17-12-14)10-13-4-7-15(18-13)5-2-1-3-6-15/h13H,1-12H2.
What are the key properties of 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane has a molecular weight of 317.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane is sourced from PubChem (CID 102902198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).