2-[(5-bromooxolan-2-yl)methoxy]oxane

C10H17BrO3 — CID 11277076

IUPAC2-[(5-bromooxolan-2-yl)methoxy]oxane
SMILESBrC1CCC(COC2CCCCO2)O1
InChIInChI=1S/C10H17BrO3/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h8-10H,1-7H2
InChIKeyDFDHNCQQZUMGQC-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.43
Rot. Bonds3

About 2-[(5-bromooxolan-2-yl)methoxy]oxane

2-[(5-bromooxolan-2-yl)methoxy]oxane (PubChem CID 11277076) has the molecular formula C10H17BrO3 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-[(5-bromooxolan-2-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(5-bromooxolan-2-yl)methoxy]oxane
PubChem CID11277076
Molecular FormulaC10H17BrO3
Molecular Weight265.15 g/mol
Exact Mass264.04
IUPAC Name2-[(5-bromooxolan-2-yl)methoxy]oxane
SMILESBrC1CCC(COC2CCCCO2)O1
InChIInChI=1S/C10H17BrO3/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h8-10H,1-7H2
InChIKeyDFDHNCQQZUMGQC-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-(12-bromododecoxy)oxane
CID 11078592
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
magnesium;2-ethoxyoxane;dichloride
CID 158421621
zinc 2-(3-bromopropoxy)oxane
CID 175895645
2-(cyclohex-3-en-1-ylmethoxy)oxane
CID 12025488
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393
2-(2-chloroethoxy)oxepane
CID 24977653
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromooxolan-2-yl)methoxy]oxane?
The IUPAC name of 2-[(5-bromooxolan-2-yl)methoxy]oxane (CID 11277076) is 2-[(5-bromooxolan-2-yl)methoxy]oxane.
What is the SMILES notation for 2-[(5-bromooxolan-2-yl)methoxy]oxane?
The canonical SMILES for 2-[(5-bromooxolan-2-yl)methoxy]oxane is BrC1CCC(COC2CCCCO2)O1.
What is the InChIKey of 2-[(5-bromooxolan-2-yl)methoxy]oxane?
The InChIKey is DFDHNCQQZUMGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO3/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h8-10H,1-7H2.
What are the key properties of 2-[(5-bromooxolan-2-yl)methoxy]oxane?
2-[(5-bromooxolan-2-yl)methoxy]oxane has a molecular weight of 265.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromooxolan-2-yl)methoxy]oxane is sourced from PubChem (CID 11277076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).