4-(chloromethoxymethyl)oxane

C7H13ClO2 — CID 79530199

IUPAC4-(chloromethoxymethyl)oxane
SMILESClCOCC1CCOCC1
InChIInChI=1S/C7H13ClO2/c8-6-10-5-7-1-3-9-4-2-7/h7H,1-6H2
InChIKeyRFZATMFKSMAPKS-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.63
Rot. Bonds3

About 4-(chloromethoxymethyl)oxane

4-(chloromethoxymethyl)oxane (PubChem CID 79530199) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 4-(chloromethoxymethyl)oxane.

Molecular Properties

Compound Name4-(chloromethoxymethyl)oxane
PubChem CID79530199
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name4-(chloromethoxymethyl)oxane
SMILESClCOCC1CCOCC1
InChIInChI=1S/C7H13ClO2/c8-6-10-5-7-1-3-9-4-2-7/h7H,1-6H2
InChIKeyRFZATMFKSMAPKS-UHFFFAOYSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.63
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

4-(5-chloropentoxymethyl)oxane
CID 62382987
1-(chloromethoxymethyl)-4-ethylcyclohexane
CID 143398974
CID 58450362
CID 58450362
2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
CID 79627779
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
3-(oxan-4-ylmethoxymethyl)piperidine
CID 62383187
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
4-[(1-bromo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114774046
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide
CID 116846813

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethoxymethyl)oxane?
The IUPAC name of 4-(chloromethoxymethyl)oxane (CID 79530199) is 4-(chloromethoxymethyl)oxane.
What is the SMILES notation for 4-(chloromethoxymethyl)oxane?
The canonical SMILES for 4-(chloromethoxymethyl)oxane is ClCOCC1CCOCC1.
What is the InChIKey of 4-(chloromethoxymethyl)oxane?
The InChIKey is RFZATMFKSMAPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c8-6-10-5-7-1-3-9-4-2-7/h7H,1-6H2.
What are the key properties of 4-(chloromethoxymethyl)oxane?
4-(chloromethoxymethyl)oxane has a molecular weight of 164.63 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethoxymethyl)oxane is sourced from PubChem (CID 79530199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).