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

C7H13BrO2 — CID 11020113

IUPAC3-(2-bromo-1-ethoxyethoxy)prop-1-ene
SMILESC=CCOC(CBr)OCC
InChIInChI=1S/C7H13BrO2/c1-3-5-10-7(6-8)9-4-2/h3,7H,1,4-6H2,2H3
InChIKeyMRPKCTRQZKAAGV-UHFFFAOYSA-N
MW209.08 g/mol
LogP1.95
Rot. Bonds6

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

3-(2-bromo-1-ethoxyethoxy)prop-1-ene (PubChem CID 11020113) has the molecular formula C7H13BrO2 and a molecular weight of 209.08 g/mol. Its IUPAC name is 3-(2-bromo-1-ethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(2-bromo-1-ethoxyethoxy)prop-1-ene
PubChem CID11020113
Molecular FormulaC7H13BrO2
Molecular Weight209.08 g/mol
Exact Mass208.01
IUPAC Name3-(2-bromo-1-ethoxyethoxy)prop-1-ene
SMILESC=CCOC(CBr)OCC
InChIInChI=1S/C7H13BrO2/c1-3-5-10-7(6-8)9-4-2/h3,7H,1,4-6H2,2H3
InChIKeyMRPKCTRQZKAAGV-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Diethoxy-1-propene
CID 62477
2-Bromopropenal diethyl acetal
CID 11805934
3-[1-(Prop-2-en-1-yloxy)ethoxy]prop-1-ene
CID 225379
1,1-Bis(allyloxy)-2-bromo-2-butene
CID 5469951
3-Bromo-2,5-dimethoxy-2,5-dihydrofuran
CID 11160099
3-(2-Bromo-1-ethoxyethoxy)penta-1,4-diene
CID 85772175
2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine
CID 10420115
(E)-4-bromo-1,1-dimethoxybut-2-ene
CID 11241001
1-Allyloxyethoxyethane
CID 12739596
1-(2-Bromo-1-prop-2-enoxyethoxy)butane
CID 10944454
(E)-1-bromo-3,3-diethoxyprop-1-ene
CID 13513773
Lithium 1-bromo-3,3-diethoxyprop-1-ene
CID 135049840

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-ethoxyethoxy)prop-1-ene?
The IUPAC name of 3-(2-bromo-1-ethoxyethoxy)prop-1-ene (CID 11020113) is 3-(2-bromo-1-ethoxyethoxy)prop-1-ene.
What is the SMILES notation for 3-(2-bromo-1-ethoxyethoxy)prop-1-ene?
The canonical SMILES for 3-(2-bromo-1-ethoxyethoxy)prop-1-ene is C=CCOC(CBr)OCC.
What is the InChIKey of 3-(2-bromo-1-ethoxyethoxy)prop-1-ene?
The InChIKey is MRPKCTRQZKAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO2/c1-3-5-10-7(6-8)9-4-2/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-(2-bromo-1-ethoxyethoxy)prop-1-ene?
3-(2-bromo-1-ethoxyethoxy)prop-1-ene has a molecular weight of 209.08 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-ethoxyethoxy)prop-1-ene is sourced from PubChem (CID 11020113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).