(E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene

C8H15BrO — CID 15074000

IUPAC(E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene
SMILESCC(C)(C)OC/C=C/CBr
InChIInChI=1S/C8H15BrO/c1-8(2,3)10-7-5-4-6-9/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyMONZJKUMXUGMAP-SNAWJCMRSA-N
MW207.11 g/mol
LogP2.75
Rot. Bonds3

About (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene

(E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene (PubChem CID 15074000) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene
PubChem CID15074000
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name(E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene
SMILESCC(C)(C)OC/C=C/CBr
InChIInChI=1S/C8H15BrO/c1-8(2,3)10-7-5-4-6-9/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyMONZJKUMXUGMAP-SNAWJCMRSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene?
The IUPAC name of (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene (CID 15074000) is (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene.
What is the SMILES notation for (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene?
The canonical SMILES for (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene is CC(C)(C)OC/C=C/CBr.
What is the InChIKey of (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene?
The InChIKey is MONZJKUMXUGMAP-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H15BrO/c1-8(2,3)10-7-5-4-6-9/h4-5H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene?
(E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene has a molecular weight of 207.11 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-4-[(2-methylpropan-2-yl)oxy]but-2-ene is sourced from PubChem (CID 15074000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).