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

C18H29BrO2 — CID 102902363

IUPAC2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
SMILESBrCC1(CC2CCC3(CCCCC3)O2)CCOC1C1CC1
InChIInChI=1S/C18H29BrO2/c19-13-17(10-11-20-16(17)14-4-5-14)12-15-6-9-18(21-15)7-2-1-3-8-18/h14-16H,1-13H2
InChIKeyHTXWODPNHNMLER-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.84
Rot. Bonds4

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

2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane (PubChem CID 102902363) has the molecular formula C18H29BrO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
PubChem CID102902363
Molecular FormulaC18H29BrO2
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
SMILESBrCC1(CC2CCC3(CCCCC3)O2)CCOC1C1CC1
InChIInChI=1S/C18H29BrO2/c19-13-17(10-11-20-16(17)14-4-5-14)12-15-6-9-18(21-15)7-2-1-3-8-18/h14-16H,1-13H2
InChIKeyHTXWODPNHNMLER-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.84
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-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
CID 102900544
3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
CID 104510698
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-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
N-[[2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900551
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869
2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
CID 102901878
3-(bromomethyl)-2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolane
CID 104510783

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
The IUPAC name of 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane (CID 102902363) is 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane is BrCC1(CC2CCC3(CCCCC3)O2)CCOC1C1CC1.
What is the InChIKey of 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
The InChIKey is HTXWODPNHNMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrO2/c19-13-17(10-11-20-16(17)14-4-5-14)12-15-6-9-18(21-15)7-2-1-3-8-18/h14-16H,1-13H2.
What are the key properties of 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane?
2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane has a molecular weight of 357.33 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane is sourced from PubChem (CID 102902363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).