3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane

C10H19BrO3 — CID 165492982

IUPAC3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane
SMILESCC(C)(CBr)OCCOC1CCOC1
InChIInChI=1S/C10H19BrO3/c1-10(2,8-11)14-6-5-13-9-3-4-12-7-9/h9H,3-8H2,1-2H3
InChIKeyXXMTZOYHUSMFDY-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.98
Rot. Bonds6

About 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane

3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane (PubChem CID 165492982) has the molecular formula C10H19BrO3 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane.

Molecular Properties

Compound Name3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane
PubChem CID165492982
Molecular FormulaC10H19BrO3
Molecular Weight267.16 g/mol
Exact Mass266.05
IUPAC Name3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane
SMILESCC(C)(CBr)OCCOC1CCOC1
InChIInChI=1S/C10H19BrO3/c1-10(2,8-11)14-6-5-13-9-3-4-12-7-9/h9H,3-8H2,1-2H3
InChIKeyXXMTZOYHUSMFDY-UHFFFAOYSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
3-propoxyoxolane
CID 14071397
ethane;3-ethoxyoxolane
CID 142523367
4-[(1-bromo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114774046
3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane
CID 165492983
2-amino-2-methyl-5-(oxolan-3-yloxy)pentanamide
CID 63557887
2-[2-(oxolan-3-yloxy)ethoxy]ethanamine
CID 103482534
2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
CID 115690996
1-tert-butyl-4-[2-(oxolan-3-yloxy)ethyl]piperidine
CID 155138836
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
4-(oxolan-3-yloxy)butan-2-one
CID 63559452
2-methoxy-N-[2-(oxolan-3-yloxy)ethyl]ethanamine
CID 63558119

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane?
The IUPAC name of 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane (CID 165492982) is 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane.
What is the SMILES notation for 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane?
The canonical SMILES for 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane is CC(C)(CBr)OCCOC1CCOC1.
What is the InChIKey of 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane?
The InChIKey is XXMTZOYHUSMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3/c1-10(2,8-11)14-6-5-13-9-3-4-12-7-9/h9H,3-8H2,1-2H3.
What are the key properties of 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane?
3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane has a molecular weight of 267.16 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane is sourced from PubChem (CID 165492982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).