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

C13H23BrO2 — CID 62108522

IUPAC3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane
SMILESBrCC1(OCC2CCOC2)CCCCCC1
InChIInChI=1S/C13H23BrO2/c14-11-13(6-3-1-2-4-7-13)16-10-12-5-8-15-9-12/h12H,1-11H2
InChIKeyWKJZAKXIYBMCSR-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.53
Rot. Bonds4

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

3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane (PubChem CID 62108522) has the molecular formula C13H23BrO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane
PubChem CID62108522
Molecular FormulaC13H23BrO2
Molecular Weight291.23 g/mol
Exact Mass290.09
IUPAC Name3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane
SMILESBrCC1(OCC2CCOC2)CCCCCC1
InChIInChI=1S/C13H23BrO2/c14-11-13(6-3-1-2-4-7-13)16-10-12-5-8-15-9-12/h12H,1-11H2
InChIKeyWKJZAKXIYBMCSR-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

2-(Bromomethyl)-1-oxaspiro[4.6]undecane
CID 130582517
1-(Bromomethyl)-1-(cyclohexylmethoxy)cycloheptane
CID 55193061
3-({[1-(Bromomethyl)cyclohexyl]oxy}methyl)oxolane
CID 62108159
3-[[1-(Bromomethyl)-4-propylcyclohexyl]oxymethyl]oxolane
CID 62108344
3-{[(2-Bromocycloheptyl)oxy]methyl}oxolane
CID 62110425
1-(Bromomethyl)-1-(2-methylpropoxy)cycloheptane
CID 62112365
1-(Bromomethyl)-1-(3-methoxypropoxy)cycloheptane
CID 62112543
1-(Bromomethyl)-1-(cyclopropylmethoxy)cycloheptane
CID 62113706
1-(Bromomethyl)-1-(cyclopentyloxy)cycloheptane
CID 62113874
4-((1-(Bromomethyl)cycloheptyl)oxy)tetrahydro-2h-pyran
CID 62114026
4-[[1-(Bromomethyl)cycloheptyl]oxymethyl]oxane
CID 62382929
2-[(2-Bromocycloheptyl)methyl]oxolane
CID 62550191

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane?
The IUPAC name of 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane (CID 62108522) is 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane.
What is the SMILES notation for 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane?
The canonical SMILES for 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane is BrCC1(OCC2CCOC2)CCCCCC1.
What is the InChIKey of 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane?
The InChIKey is WKJZAKXIYBMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO2/c14-11-13(6-3-1-2-4-7-13)16-10-12-5-8-15-9-12/h12H,1-11H2.
What are the key properties of 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane?
3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane 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 3-[[1-(bromomethyl)cycloheptyl]oxymethyl]oxolane is sourced from PubChem (CID 62108522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).