3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane

C12H21BrO2 — CID 62108159

IUPAC3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
SMILESBrCC1(OCC2CCOC2)CCCCC1
InChIInChI=1S/C12H21BrO2/c13-10-12(5-2-1-3-6-12)15-9-11-4-7-14-8-11/h11H,1-10H2
InChIKeyIFSXFJPEAVLBAK-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.14
Rot. Bonds4

About 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane

3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane (PubChem CID 62108159) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
PubChem CID62108159
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Name3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
SMILESBrCC1(OCC2CCOC2)CCCCC1
InChIInChI=1S/C12H21BrO2/c13-10-12(5-2-1-3-6-12)15-9-11-4-7-14-8-11/h11H,1-10H2
InChIKeyIFSXFJPEAVLBAK-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane 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

4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
CID 62382188
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
N-methyl-2-[1-(oxolan-3-ylmethoxy)cyclobutyl]ethanamine
CID 103273960
3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]oxolane
CID 114773793
1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
CID 106204781
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
CID 55036245
ethane;3-(methoxymethyl)oxolane
CID 143285946
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
CID 165489879
3-methyl-3-(oxolan-3-ylmethoxy)azetidine
CID 83066402
3-(bromomethyl)oxolane
CID 14173422
4-(bromomethyl)-4-(oxan-2-ylmethoxy)oxane
CID 114772655

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane?
The IUPAC name of 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane (CID 62108159) is 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane?
The canonical SMILES for 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane is BrCC1(OCC2CCOC2)CCCCC1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane?
The InChIKey is IFSXFJPEAVLBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2/c13-10-12(5-2-1-3-6-12)15-9-11-4-7-14-8-11/h11H,1-10H2.
What are the key properties of 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane?
3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane has a molecular weight of 277.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane is sourced from PubChem (CID 62108159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).