2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane

C11H18Br2O2 — CID 134993844

IUPAC2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane
SMILESC=C=CCOC(OC(C)(C)C)C(C)(Br)Br
InChIInChI=1S/C11H18Br2O2/c1-6-7-8-14-9(11(5,12)13)15-10(2,3)4/h7,9H,1,8H2,2-5H3
InChIKeyUYEJXUWNNPLEBO-UHFFFAOYSA-N
MW342.07 g/mol
LogP3.99
Rot. Bonds5

About 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane

2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane (PubChem CID 134993844) has the molecular formula C11H18Br2O2 and a molecular weight of 342.07 g/mol. Its IUPAC name is 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane
PubChem CID134993844
Molecular FormulaC11H18Br2O2
Molecular Weight342.07 g/mol
Exact Mass339.97
IUPAC Name2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane
SMILESC=C=CCOC(OC(C)(C)C)C(C)(Br)Br
InChIInChI=1S/C11H18Br2O2/c1-6-7-8-14-9(11(5,12)13)15-10(2,3)4/h7,9H,1,8H2,2-5H3
InChIKeyUYEJXUWNNPLEBO-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.07
LogP ≤ 53.99
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

4-(2,2-Dibromo-1-ethoxypropoxy)buta-1,2-diene
CID 11120583
2-(2-Bromo-1-buta-2,3-dienoxyethoxy)-2-methylpropane
CID 11075831
1,1-Dibromo-3,3-diethoxyprop-1-ene
CID 12253236
2-(2-Bromo-1-prop-2-enoxyethoxy)-2-methylpropane
CID 15416032
1,1-dibromo-3,3-diethoxy(113C)prop-1-ene
CID 101491863
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-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane?
The IUPAC name of 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane (CID 134993844) is 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane.
What is the SMILES notation for 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane?
The canonical SMILES for 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane is C=C=CCOC(OC(C)(C)C)C(C)(Br)Br.
What is the InChIKey of 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane?
The InChIKey is UYEJXUWNNPLEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Br2O2/c1-6-7-8-14-9(11(5,12)13)15-10(2,3)4/h7,9H,1,8H2,2-5H3.
What are the key properties of 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane?
2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane has a molecular weight of 342.07 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane is sourced from PubChem (CID 134993844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).