1,2-bis(1-bromoethoxy)propane

C7H14Br2O2 — CID 87234717

IUPAC1,2-bis(1-bromoethoxy)propane
SMILESCC(Br)OCC(C)OC(C)Br
InChIInChI=1S/C7H14Br2O2/c1-5(11-7(3)9)4-10-6(2)8/h5-7H,4H2,1-3H3
InChIKeyABVGBNKAFQWKJK-UHFFFAOYSA-N
MW290.00 g/mol
LogP2.89
Rot. Bonds5

About 1,2-bis(1-bromoethoxy)propane

1,2-bis(1-bromoethoxy)propane (PubChem CID 87234717) has the molecular formula C7H14Br2O2 and a molecular weight of 290.00 g/mol. Its IUPAC name is 1,2-bis(1-bromoethoxy)propane.

Molecular Properties

Compound Name1,2-bis(1-bromoethoxy)propane
PubChem CID87234717
Molecular FormulaC7H14Br2O2
Molecular Weight290.00 g/mol
Exact Mass287.94
IUPAC Name1,2-bis(1-bromoethoxy)propane
SMILESCC(Br)OCC(C)OC(C)Br
InChIInChI=1S/C7H14Br2O2/c1-5(11-7(3)9)4-10-6(2)8/h5-7H,4H2,1-3H3
InChIKeyABVGBNKAFQWKJK-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propoxyphosphane
CID 59288681
2-(1-bromoethoxymethyl)oxirane
CID 20568723
1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol
CID 22833317
1-[2-[1-[2-[2-[1-(2-aminopropoxy)propan-2-yloxy]propoxy]propoxy]propan-2-yloxy]propoxy]propan-2-amine
CID 129028378
3-(1-bromoethoxy)propanenitrile
CID 151174182
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane
CID 172636483
2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
CID 142712602
tris(2-methoxypropyl) phosphate
CID 88697262
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
2-(2-decan-5-yloxypropoxy)propan-1-ol
CID 139806378

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-bromoethoxy)propane?
The IUPAC name of 1,2-bis(1-bromoethoxy)propane (CID 87234717) is 1,2-bis(1-bromoethoxy)propane.
What is the SMILES notation for 1,2-bis(1-bromoethoxy)propane?
The canonical SMILES for 1,2-bis(1-bromoethoxy)propane is CC(Br)OCC(C)OC(C)Br.
What is the InChIKey of 1,2-bis(1-bromoethoxy)propane?
The InChIKey is ABVGBNKAFQWKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2O2/c1-5(11-7(3)9)4-10-6(2)8/h5-7H,4H2,1-3H3.
What are the key properties of 1,2-bis(1-bromoethoxy)propane?
1,2-bis(1-bromoethoxy)propane has a molecular weight of 290.00 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-bromoethoxy)propane is sourced from PubChem (CID 87234717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).