2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane

C16H27BrO — CID 102902158

IUPAC2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
SMILESBrCC1(CC2CCC3(CCCCC3)O2)CCCC1
InChIInChI=1S/C16H27BrO/c17-13-15(7-4-5-8-15)12-14-6-11-16(18-14)9-2-1-3-10-16/h14H,1-13H2
InChIKeyGVCYMOPLWIGVMC-UHFFFAOYSA-N
MW315.30 g/mol
LogP5.21
Rot. Bonds3

About 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane

2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane (PubChem CID 102902158) has the molecular formula C16H27BrO and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
PubChem CID102902158
Molecular FormulaC16H27BrO
Molecular Weight315.30 g/mol
Exact Mass314.12
IUPAC Name2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
SMILESBrCC1(CC2CCC3(CCCCC3)O2)CCCC1
InChIInChI=1S/C16H27BrO/c17-13-15(7-4-5-8-15)12-14-6-11-16(18-14)9-2-1-3-10-16/h14H,1-13H2
InChIKeyGVCYMOPLWIGVMC-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.30
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane
CID 116525208
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902363
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane?
The IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane (CID 102902158) is 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane is BrCC1(CC2CCC3(CCCCC3)O2)CCCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane?
The InChIKey is GVCYMOPLWIGVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrO/c17-13-15(7-4-5-8-15)12-14-6-11-16(18-14)9-2-1-3-10-16/h14H,1-13H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane?
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane has a molecular weight of 315.30 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane is sourced from PubChem (CID 102902158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).