2-bromo-3-prop-2-enoxyprop-1-ene

C6H9BrO — CID 11389719

IUPAC2-bromo-3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC(=C)Br
InChIInChI=1S/C6H9BrO/c1-3-4-8-5-6(2)7/h3H,1-2,4-5H2
InChIKeyLDROOXDVSHSEIB-UHFFFAOYSA-N
MW177.04 g/mol
LogP2.10
Rot. Bonds4

About 2-bromo-3-prop-2-enoxyprop-1-ene

2-bromo-3-prop-2-enoxyprop-1-ene (PubChem CID 11389719) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is 2-bromo-3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2-bromo-3-prop-2-enoxyprop-1-ene
PubChem CID11389719
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Name2-bromo-3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC(=C)Br
InChIInChI=1S/C6H9BrO/c1-3-4-8-5-6(2)7/h3H,1-2,4-5H2
InChIKeyLDROOXDVSHSEIB-UHFFFAOYSA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2-bromo-3-prop-2-enoxyprop-1-ene (CID 11389719) is 2-bromo-3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2-bromo-3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2-bromo-3-prop-2-enoxyprop-1-ene is C=CCOCC(=C)Br.
What is the InChIKey of 2-bromo-3-prop-2-enoxyprop-1-ene?
The InChIKey is LDROOXDVSHSEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO/c1-3-4-8-5-6(2)7/h3H,1-2,4-5H2.
What are the key properties of 2-bromo-3-prop-2-enoxyprop-1-ene?
2-bromo-3-prop-2-enoxyprop-1-ene has a molecular weight of 177.04 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 11389719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).