1-(1,1-dibromoprop-2-enoxy)ethanol

C5H8Br2O2 — CID 154346374

IUPAC1-(1,1-dibromoprop-2-enoxy)ethanol
SMILESC=CC(Br)(Br)OC(C)O
InChIInChI=1S/C5H8Br2O2/c1-3-5(6,7)9-4(2)8/h3-4,8H,1H2,2H3
InChIKeyIYKCIWKXRWGSSH-UHFFFAOYSA-N
MW259.93 g/mol
LogP1.97
Rot. Bonds3

About 1-(1,1-dibromoprop-2-enoxy)ethanol

1-(1,1-dibromoprop-2-enoxy)ethanol (PubChem CID 154346374) has the molecular formula C5H8Br2O2 and a molecular weight of 259.93 g/mol. Its IUPAC name is 1-(1,1-dibromoprop-2-enoxy)ethanol.

Molecular Properties

Compound Name1-(1,1-dibromoprop-2-enoxy)ethanol
PubChem CID154346374
Molecular FormulaC5H8Br2O2
Molecular Weight259.93 g/mol
Exact Mass257.89
IUPAC Name1-(1,1-dibromoprop-2-enoxy)ethanol
SMILESC=CC(Br)(Br)OC(C)O
InChIInChI=1S/C5H8Br2O2/c1-3-5(6,7)9-4(2)8/h3-4,8H,1H2,2H3
InChIKeyIYKCIWKXRWGSSH-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.93
LogP ≤ 51.97
H-Bond Donors ≤ 51
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

Allyloxyethanol
CID 21881795
2-Bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol
CID 57096992
2-Bromo-1-but-2-enoxyethanol
CID 175189172
1,1-Dibromo-3,3-diethoxyprop-1-ene
CID 12253236
1,1-dibromo-3,3-diethoxy(113C)prop-1-ene
CID 101491863

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dibromoprop-2-enoxy)ethanol?
The IUPAC name of 1-(1,1-dibromoprop-2-enoxy)ethanol (CID 154346374) is 1-(1,1-dibromoprop-2-enoxy)ethanol.
What is the SMILES notation for 1-(1,1-dibromoprop-2-enoxy)ethanol?
The canonical SMILES for 1-(1,1-dibromoprop-2-enoxy)ethanol is C=CC(Br)(Br)OC(C)O.
What is the InChIKey of 1-(1,1-dibromoprop-2-enoxy)ethanol?
The InChIKey is IYKCIWKXRWGSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2O2/c1-3-5(6,7)9-4(2)8/h3-4,8H,1H2,2H3.
What are the key properties of 1-(1,1-dibromoprop-2-enoxy)ethanol?
1-(1,1-dibromoprop-2-enoxy)ethanol has a molecular weight of 259.93 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dibromoprop-2-enoxy)ethanol is sourced from PubChem (CID 154346374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).