3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane

C10H19BrO3 — CID 58090262

IUPAC3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCOCCBr)COC1
InChIInChI=1S/C10H19BrO3/c1-2-10(8-14-9-10)7-13-6-5-12-4-3-11/h2-9H2,1H3
InChIKeyXSNKWQQGOPJPOU-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.84
Rot. Bonds8

About 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane

3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane (PubChem CID 58090262) has the molecular formula C10H19BrO3 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
PubChem CID58090262
Molecular FormulaC10H19BrO3
Molecular Weight267.16 g/mol
Exact Mass266.05
IUPAC Name3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCOCCBr)COC1
InChIInChI=1S/C10H19BrO3/c1-2-10(8-14-9-10)7-13-6-5-12-4-3-11/h2-9H2,1H3
InChIKeyXSNKWQQGOPJPOU-UHFFFAOYSA-N
XLogP1.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane (CID 58090262) is 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane is CCC1(COCCOCCBr)COC1.
What is the InChIKey of 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane?
The InChIKey is XSNKWQQGOPJPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3/c1-2-10(8-14-9-10)7-13-6-5-12-4-3-11/h2-9H2,1H3.
What are the key properties of 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane?
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane has a molecular weight of 267.16 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 58090262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).