1-bromo-3-but-2-enoxy-2-methylpropane

C8H15BrO — CID 77052570

IUPAC1-bromo-3-but-2-enoxy-2-methylpropane
SMILESCC=CCOCC(C)CBr
InChIInChI=1S/C8H15BrO/c1-3-4-5-10-7-8(2)6-9/h3-4,8H,5-7H2,1-2H3
InChIKeyNUTZTKYJZOYXCY-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.61
Rot. Bonds5

About 1-bromo-3-but-2-enoxy-2-methylpropane

1-bromo-3-but-2-enoxy-2-methylpropane (PubChem CID 77052570) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 1-bromo-3-but-2-enoxy-2-methylpropane.

Molecular Properties

Compound Name1-bromo-3-but-2-enoxy-2-methylpropane
PubChem CID77052570
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name1-bromo-3-but-2-enoxy-2-methylpropane
SMILESCC=CCOCC(C)CBr
InChIInChI=1S/C8H15BrO/c1-3-4-5-10-7-8(2)6-9/h3-4,8H,5-7H2,1-2H3
InChIKeyNUTZTKYJZOYXCY-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-3-[(E)-but-2-enoxy]propanoate
CID 81092651
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene
CID 13443175
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
CID 87839442
1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
CID 112587518
1,6-bis(but-2-enoxy)hexane
CID 173425920
1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane
CID 77052712
(3-bromo-2-methylpropyl) nitrate
CID 18714887
1-(1-chloroethoxy)but-2-ene
CID 91247545
4-but-2-enoxybut-2-en-1-ol
CID 76540479
1-bromo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 12923290
2-[(E)-but-2-enoxy]ethanamine
CID 58684399

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-but-2-enoxy-2-methylpropane?
The IUPAC name of 1-bromo-3-but-2-enoxy-2-methylpropane (CID 77052570) is 1-bromo-3-but-2-enoxy-2-methylpropane.
What is the SMILES notation for 1-bromo-3-but-2-enoxy-2-methylpropane?
The canonical SMILES for 1-bromo-3-but-2-enoxy-2-methylpropane is CC=CCOCC(C)CBr.
What is the InChIKey of 1-bromo-3-but-2-enoxy-2-methylpropane?
The InChIKey is NUTZTKYJZOYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-3-4-5-10-7-8(2)6-9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 1-bromo-3-but-2-enoxy-2-methylpropane?
1-bromo-3-but-2-enoxy-2-methylpropane has a molecular weight of 207.11 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-but-2-enoxy-2-methylpropane is sourced from PubChem (CID 77052570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).