2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene

C7H13BrO3 — CID 74890641

IUPAC2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene
SMILESC=C(Br)COCOCCOC
InChIInChI=1S/C7H13BrO3/c1-7(8)5-11-6-10-4-3-9-2/h1,3-6H2,2H3
InChIKeyCNQGYJUHGYCYPV-UHFFFAOYSA-N
MW225.08 g/mol
LogP1.53
Rot. Bonds7

About 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene

2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene (PubChem CID 74890641) has the molecular formula C7H13BrO3 and a molecular weight of 225.08 g/mol. Its IUPAC name is 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene
PubChem CID74890641
Molecular FormulaC7H13BrO3
Molecular Weight225.08 g/mol
Exact Mass224.00
IUPAC Name2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene
SMILESC=C(Br)COCOCCOC
InChIInChI=1S/C7H13BrO3/c1-7(8)5-11-6-10-4-3-9-2/h1,3-6H2,2H3
InChIKeyCNQGYJUHGYCYPV-UHFFFAOYSA-N
XLogP1.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene?
The IUPAC name of 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene (CID 74890641) is 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene.
What is the SMILES notation for 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene?
The canonical SMILES for 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene is C=C(Br)COCOCCOC.
What is the InChIKey of 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene?
The InChIKey is CNQGYJUHGYCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO3/c1-7(8)5-11-6-10-4-3-9-2/h1,3-6H2,2H3.
What are the key properties of 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene?
2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene has a molecular weight of 225.08 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-methoxyethoxymethoxy)prop-1-ene is sourced from PubChem (CID 74890641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).