(2R)-3-bromo-2-methylpropan-1-ol

C4H9BrO — CID 10441885

IUPAC(2R)-3-bromo-2-methylpropan-1-ol
SMILESC[C@H](CO)CBr
InChIInChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m0/s1
InChIKeyKIBOHRIGZMLNNS-BYPYZUCNSA-N
MW153.02 g/mol
LogP1.01
Rot. Bonds2

About (2R)-3-bromo-2-methylpropan-1-ol

(2R)-3-bromo-2-methylpropan-1-ol (PubChem CID 10441885) has the molecular formula C4H9BrO and a molecular weight of 153.02 g/mol. Its IUPAC name is (2R)-3-bromo-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-bromo-2-methylpropan-1-ol
PubChem CID10441885
Molecular FormulaC4H9BrO
Molecular Weight153.02 g/mol
Exact Mass151.98
IUPAC Name(2R)-3-bromo-2-methylpropan-1-ol
SMILESC[C@H](CO)CBr
InChIInChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m0/s1
InChIKeyKIBOHRIGZMLNNS-BYPYZUCNSA-N
XLogP1.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.02
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-bromo-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-bromo-2-methylpropan-1-ol (CID 10441885) is (2R)-3-bromo-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-bromo-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-bromo-2-methylpropan-1-ol is C[C@H](CO)CBr.
What is the InChIKey of (2R)-3-bromo-2-methylpropan-1-ol?
The InChIKey is KIBOHRIGZMLNNS-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2R)-3-bromo-2-methylpropan-1-ol?
(2R)-3-bromo-2-methylpropan-1-ol has a molecular weight of 153.02 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-bromo-2-methylpropan-1-ol is sourced from PubChem (CID 10441885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).