4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane

C13H23BrO2 — CID 62382188

IUPAC4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
SMILESBrCC1(OCC2CCOCC2)CCCCC1
InChIInChI=1S/C13H23BrO2/c14-11-13(6-2-1-3-7-13)16-10-12-4-8-15-9-5-12/h12H,1-11H2
InChIKeyJVZZMQRUYAIPHU-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.53
Rot. Bonds4

About 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane

4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane (PubChem CID 62382188) has the molecular formula C13H23BrO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
PubChem CID62382188
Molecular FormulaC13H23BrO2
Molecular Weight291.23 g/mol
Exact Mass290.09
IUPAC Name4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
SMILESBrCC1(OCC2CCOCC2)CCCCC1
InChIInChI=1S/C13H23BrO2/c14-11-13(6-2-1-3-7-13)16-10-12-4-8-15-9-5-12/h12H,1-11H2
InChIKeyJVZZMQRUYAIPHU-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.53
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

3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
CID 62108159
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
4-(bromomethyl)-4-(oxan-2-ylmethoxy)oxane
CID 114772655
[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 65052287
[1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 62383521
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749
1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
CID 165489879
[4-(cyclopropylmethoxy)oxan-4-yl]methanamine
CID 65051703
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 62382213
4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane
CID 66343511
1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane
CID 165489609

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane?
The IUPAC name of 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane (CID 62382188) is 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane?
The canonical SMILES for 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane is BrCC1(OCC2CCOCC2)CCCCC1.
What is the InChIKey of 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane?
The InChIKey is JVZZMQRUYAIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO2/c14-11-13(6-2-1-3-7-13)16-10-12-4-8-15-9-5-12/h12H,1-11H2.
What are the key properties of 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane?
4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane has a molecular weight of 291.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane is sourced from PubChem (CID 62382188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).