2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene

C6H8BrIO — CID 101082215

IUPAC2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene
SMILESC=C(Br)COC/C=C/I
InChIInChI=1S/C6H8BrIO/c1-6(7)5-9-4-2-3-8/h2-3H,1,4-5H2/b3-2+
InChIKeyLFDMRYCXRPCUKR-NSCUHMNNSA-N
MW302.94 g/mol
LogP2.86
Rot. Bonds4

About 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene

2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene (PubChem CID 101082215) has the molecular formula C6H8BrIO and a molecular weight of 302.94 g/mol. Its IUPAC name is 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene.

Molecular Properties

Compound Name2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene
PubChem CID101082215
Molecular FormulaC6H8BrIO
Molecular Weight302.94 g/mol
Exact Mass301.88
IUPAC Name2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene
SMILESC=C(Br)COC/C=C/I
InChIInChI=1S/C6H8BrIO/c1-6(7)5-9-4-2-3-8/h2-3H,1,4-5H2/b3-2+
InChIKeyLFDMRYCXRPCUKR-NSCUHMNNSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.94
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene?
The IUPAC name of 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene (CID 101082215) is 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene.
What is the SMILES notation for 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene?
The canonical SMILES for 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene is C=C(Br)COC/C=C/I.
What is the InChIKey of 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene?
The InChIKey is LFDMRYCXRPCUKR-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8BrIO/c1-6(7)5-9-4-2-3-8/h2-3H,1,4-5H2/b3-2+.
What are the key properties of 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene?
2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene has a molecular weight of 302.94 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(E)-3-iodoprop-2-enoxy]prop-1-ene is sourced from PubChem (CID 101082215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).