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

C9H17BrO — CID 142605952

IUPAC(E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
SMILESCC/C=C(\CBr)OC(C)(C)C
InChIInChI=1S/C9H17BrO/c1-5-6-8(7-10)11-9(2,3)4/h6H,5,7H2,1-4H3/b8-6+
InChIKeyUWOFZEQGXWMYBX-SOFGYWHQSA-N
MW221.14 g/mol
LogP3.49
Rot. Bonds3

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

(E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene (PubChem CID 142605952) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
PubChem CID142605952
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name(E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
SMILESCC/C=C(\CBr)OC(C)(C)C
InChIInChI=1S/C9H17BrO/c1-5-6-8(7-10)11-9(2,3)4/h6H,5,7H2,1-4H3/b8-6+
InChIKeyUWOFZEQGXWMYBX-SOFGYWHQSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
CID 143560421
2-(2-methoxypropan-2-yloxy)pent-2-ene
CID 90956610
tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
CID 87528852
tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
CID 170975536
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 15458544
tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
CID 135171091
tert-butyl 2-bromoethanimidate
CID 143873839
3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene
CID 173371776
tert-butyl 2-(bromomethyl)prop-2-enoate
CID 10955115
CID 58186857
CID 58186857
tert-butyl N-[2-ethyl-2-(2-methylpent-2-enoylamino)butyl]carbamate
CID 72690153
tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate
CID 139576224

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene?
The IUPAC name of (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene (CID 142605952) is (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene.
What is the SMILES notation for (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene?
The canonical SMILES for (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene is CC/C=C(\CBr)OC(C)(C)C.
What is the InChIKey of (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene?
The InChIKey is UWOFZEQGXWMYBX-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17BrO/c1-5-6-8(7-10)11-9(2,3)4/h6H,5,7H2,1-4H3/b8-6+.
What are the key properties of (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene?
(E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene has a molecular weight of 221.14 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene is sourced from PubChem (CID 142605952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).