3-bromo-2,2-bis(bromomethyl)propan-1-ol

C5H9Br3O — CID 15206

IUPAC3-bromo-2,2-bis(bromomethyl)propan-1-ol
SMILESOCC(CBr)(CBr)CBr
InChIInChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
InChIKeyQEJPOEGPNIVDMK-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.15
Rot. Bonds4

About 3-bromo-2,2-bis(bromomethyl)propan-1-ol

3-bromo-2,2-bis(bromomethyl)propan-1-ol (PubChem CID 15206) has the molecular formula C5H9Br3O and a molecular weight of 324.84 g/mol. Its IUPAC name is 3-bromo-2,2-bis(bromomethyl)propan-1-ol.

Molecular Properties

Compound Name3-bromo-2,2-bis(bromomethyl)propan-1-ol
PubChem CID15206
Molecular FormulaC5H9Br3O
Molecular Weight324.84 g/mol
Exact Mass321.82
IUPAC Name3-bromo-2,2-bis(bromomethyl)propan-1-ol
SMILESOCC(CBr)(CBr)CBr
InChIInChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
InChIKeyQEJPOEGPNIVDMK-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 157283280
2-(bromomethyl)-2-ethylbutan-1-ol
CID 14105233
2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol;1,3-dibromo-2,2-dimethylpropane-1,3-diol
CID 131713024
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
CID 175286954
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 18715964
2,2-bis(bromomethyl)propane-1,3-diol;2-(chloromethyl)oxirane
CID 156595168
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
3-bromo-2,2-difluoropropan-1-ol
CID 112756501
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
bromomethanol
CID 11708052
1-deuterio-2,2-bis(hydroxymethyl)propane-1,3-diol
CID 175726110

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2-bis(bromomethyl)propan-1-ol?
The IUPAC name of 3-bromo-2,2-bis(bromomethyl)propan-1-ol (CID 15206) is 3-bromo-2,2-bis(bromomethyl)propan-1-ol.
What is the SMILES notation for 3-bromo-2,2-bis(bromomethyl)propan-1-ol?
The canonical SMILES for 3-bromo-2,2-bis(bromomethyl)propan-1-ol is OCC(CBr)(CBr)CBr.
What is the InChIKey of 3-bromo-2,2-bis(bromomethyl)propan-1-ol?
The InChIKey is QEJPOEGPNIVDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2.
What are the key properties of 3-bromo-2,2-bis(bromomethyl)propan-1-ol?
3-bromo-2,2-bis(bromomethyl)propan-1-ol has a molecular weight of 324.84 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,2-bis(bromomethyl)propan-1-ol is sourced from PubChem (CID 15206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).