2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol

C6H8Br2O2 — CID 57096992

IUPAC2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol
SMILESC=C(Br)COC(O)C(=C)Br
InChIInChI=1S/C6H8Br2O2/c1-4(7)3-10-6(9)5(2)8/h6,9H,1-3H2
InChIKeySDJAEBIVUHUCJM-UHFFFAOYSA-N
MW271.94 g/mol
LogP2.14
Rot. Bonds4

About 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol

2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol (PubChem CID 57096992) has the molecular formula C6H8Br2O2 and a molecular weight of 271.94 g/mol. Its IUPAC name is 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol
PubChem CID57096992
Molecular FormulaC6H8Br2O2
Molecular Weight271.94 g/mol
Exact Mass269.89
IUPAC Name2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol
SMILESC=C(Br)COC(O)C(=C)Br
InChIInChI=1S/C6H8Br2O2/c1-4(7)3-10-6(9)5(2)8/h6,9H,1-3H2
InChIKeySDJAEBIVUHUCJM-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.94
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dibromo-2,5-dihydrofuran-2-ol
CID 140490164
1-(1,1-Dibromoprop-2-enoxy)ethanol
CID 154346374
3-Bromo-2,5-dihydrofuran-2,5-diol
CID 175631022

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol?
The IUPAC name of 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol (CID 57096992) is 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol.
What is the SMILES notation for 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol?
The canonical SMILES for 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol is C=C(Br)COC(O)C(=C)Br.
What is the InChIKey of 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol?
The InChIKey is SDJAEBIVUHUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2O2/c1-4(7)3-10-6(9)5(2)8/h6,9H,1-3H2.
What are the key properties of 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol?
2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol has a molecular weight of 271.94 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromoprop-2-enoxy)prop-2-en-1-ol is sourced from PubChem (CID 57096992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).