3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol

C10H18Br4O3 — CID 57172833

IUPAC3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(Br)(Br)OC(Br)(Br)C(C)(C)CO
InChIInChI=1S/C10H18Br4O3/c1-7(2,5-15)9(11,12)17-10(13,14)8(3,4)6-16/h15-16H,5-6H2,1-4H3
InChIKeyVWVBOUCESJBZBG-UHFFFAOYSA-N
MW505.87 g/mol
LogP3.93
Rot. Bonds6

About 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol

3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol (PubChem CID 57172833) has the molecular formula C10H18Br4O3 and a molecular weight of 505.87 g/mol. Its IUPAC name is 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
PubChem CID57172833
Molecular FormulaC10H18Br4O3
Molecular Weight505.87 g/mol
Exact Mass501.80
IUPAC Name3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(Br)(Br)OC(Br)(Br)C(C)(C)CO
InChIInChI=1S/C10H18Br4O3/c1-7(2,5-15)9(11,12)17-10(13,14)8(3,4)6-16/h15-16H,5-6H2,1-4H3
InChIKeyVWVBOUCESJBZBG-UHFFFAOYSA-N
XLogP3.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.87
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
CID 87546822
3-ethyl-2,2-dimethylpentane-1,3-diol
CID 130124646
butane;2,2,2-tribromoethanol
CID 88597127
2,2,3,3,4,4-hexamethylpentan-1-ol
CID 59119754
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
3,3-difluoro-2,2-dimethylbutan-1-ol
CID 118052047
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
benzene;2,2-dimethylpropane-1,3-diol
CID 162098096
alumane;2,2-dimethylpropan-1-ol
CID 174479314
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol (CID 57172833) is 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)C(Br)(Br)OC(Br)(Br)C(C)(C)CO.
What is the InChIKey of 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is VWVBOUCESJBZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br4O3/c1-7(2,5-15)9(11,12)17-10(13,14)8(3,4)6-16/h15-16H,5-6H2,1-4H3.
What are the key properties of 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 505.87 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromo-3-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 57172833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).