2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane

C10H17BrO2 — CID 11075831

IUPAC2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane
SMILESC=C=CCOC(CBr)OC(C)(C)C
InChIInChI=1S/C10H17BrO2/c1-5-6-7-12-9(8-11)13-10(2,3)4/h6,9H,1,7-8H2,2-4H3
InChIKeyXZLNSNAJNPNJOY-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane

2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane (PubChem CID 11075831) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane
PubChem CID11075831
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane
SMILESC=C=CCOC(CBr)OC(C)(C)C
InChIInChI=1S/C10H17BrO2/c1-5-6-7-12-9(8-11)13-10(2,3)4/h6,9H,1,7-8H2,2-4H3
InChIKeyXZLNSNAJNPNJOY-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(E)-4-bromo-1,1-diethoxy-2-methyl-2-butene
CID 13046223
1-(2-Bromo-1-prop-2-enoxyethoxy)butane
CID 10944454
2-(2,2-Dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane
CID 134993844
3-(2-Bromo-1-ethoxyethoxy)-2-methylprop-1-ene
CID 11064044
2-Methyl-2-[1-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]propane
CID 18988590
4-Bromo-1,1-diethoxy-2-methylbut-2-ene
CID 53718451
(Z)-4-bromo-1,1-diethoxy-2-methylbut-2-ene
CID 88757248
1-(2-Bromo-1-ethoxyethoxy)-3-methylbut-2-ene
CID 15059764
2-(2-Bromo-1-prop-2-enoxyethoxy)-2-methylpropane
CID 15416032
3-(2-Bromo-1-butoxyethoxy)-3-methylbut-1-ene
CID 85885523
2-(2-Bromo-1-buta-2,3-dienylperoxyethoxy)-2-methylpropane
CID 100916029
4,4-Diethoxy-1-[(2-methylpropan-2-yl)oxy]buta-1,2-diene
CID 121011124

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane?
The IUPAC name of 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane (CID 11075831) is 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane.
What is the SMILES notation for 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane?
The canonical SMILES for 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane is C=C=CCOC(CBr)OC(C)(C)C.
What is the InChIKey of 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane?
The InChIKey is XZLNSNAJNPNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-5-6-7-12-9(8-11)13-10(2,3)4/h6,9H,1,7-8H2,2-4H3.
What are the key properties of 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane?
2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane has a molecular weight of 249.15 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane is sourced from PubChem (CID 11075831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).