2,3-dibromo-1,1-diethoxypropane

C7H14Br2O2 — CID 4263567

IUPAC2,3-dibromo-1,1-diethoxypropane
SMILESCCOC(OCC)C(Br)CBr
InChIInChI=1S/C7H14Br2O2/c1-3-10-7(11-4-2)6(9)5-8/h6-7H,3-5H2,1-2H3
InChIKeyDVTLFBDHZBBAET-UHFFFAOYSA-N
MW290.00 g/mol
LogP2.54
Rot. Bonds6

About 2,3-dibromo-1,1-diethoxypropane

2,3-dibromo-1,1-diethoxypropane (PubChem CID 4263567) has the molecular formula C7H14Br2O2 and a molecular weight of 290.00 g/mol. Its IUPAC name is 2,3-dibromo-1,1-diethoxypropane.

Molecular Properties

Compound Name2,3-dibromo-1,1-diethoxypropane
PubChem CID4263567
Molecular FormulaC7H14Br2O2
Molecular Weight290.00 g/mol
Exact Mass287.94
IUPAC Name2,3-dibromo-1,1-diethoxypropane
SMILESCCOC(OCC)C(Br)CBr
InChIInChI=1S/C7H14Br2O2/c1-3-10-7(11-4-2)6(9)5-8/h6-7H,3-5H2,1-2H3
InChIKeyDVTLFBDHZBBAET-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,1-diethoxypropane?
The IUPAC name of 2,3-dibromo-1,1-diethoxypropane (CID 4263567) is 2,3-dibromo-1,1-diethoxypropane.
What is the SMILES notation for 2,3-dibromo-1,1-diethoxypropane?
The canonical SMILES for 2,3-dibromo-1,1-diethoxypropane is CCOC(OCC)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-1,1-diethoxypropane?
The InChIKey is DVTLFBDHZBBAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2O2/c1-3-10-7(11-4-2)6(9)5-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,3-dibromo-1,1-diethoxypropane?
2,3-dibromo-1,1-diethoxypropane has a molecular weight of 290.00 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,1-diethoxypropane is sourced from PubChem (CID 4263567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).