2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane

C8H15BrO4 — CID 170898213

IUPAC2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane
SMILESBrCCOCCOCC1OCCO1
InChIInChI=1S/C8H15BrO4/c9-1-2-10-3-4-11-7-8-12-5-6-13-8/h8H,1-7H2
InChIKeyFSVAUJQBKUUHKH-UHFFFAOYSA-N
MW255.11 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane

2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane (PubChem CID 170898213) has the molecular formula C8H15BrO4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane
PubChem CID170898213
Molecular FormulaC8H15BrO4
Molecular Weight255.11 g/mol
Exact Mass254.02
IUPAC Name2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane
SMILESBrCCOCCOCC1OCCO1
InChIInChI=1S/C8H15BrO4/c9-1-2-10-3-4-11-7-8-12-5-6-13-8/h8H,1-7H2
InChIKeyFSVAUJQBKUUHKH-UHFFFAOYSA-N
XLogP0.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159080030
(2S)-2-(2-bromoethoxymethyl)morpholine-4-carboxylic acid
CID 155438694
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-(bromomethyl)-1,3-dioxolane;phosphane
CID 146464767
1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
CID 174806183
2-[2-(2-bromoethoxy)ethoxy]-1-(2-methoxyethoxy)propane;2-[2-[1-(2-methoxyethoxy)propan-2-yloxy]ethoxymethyl]oxirane
CID 163522489
5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid
CID 67828627
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
CID 170897748
N-[3-(2-bromoethoxy)propyl]-1,4-dioxane-2-carboxamide
CID 106307776
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 126843434

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane (CID 170898213) is 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane is BrCCOCCOCC1OCCO1.
What is the InChIKey of 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane?
The InChIKey is FSVAUJQBKUUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO4/c9-1-2-10-3-4-11-7-8-12-5-6-13-8/h8H,1-7H2.
What are the key properties of 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane?
2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane has a molecular weight of 255.11 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane is sourced from PubChem (CID 170898213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).