1,1-dibromo-3-methylbutan-2-ol

C5H10Br2O — CID 15089986

IUPAC1,1-dibromo-3-methylbutan-2-ol
SMILESCC(C)C(O)C(Br)Br
InChIInChI=1S/C5H10Br2O/c1-3(2)4(8)5(6)7/h3-5,8H,1-2H3
InChIKeyHQPIKBCIRJHVHN-UHFFFAOYSA-N
MW245.94 g/mol
LogP2.12
Rot. Bonds2

About 1,1-dibromo-3-methylbutan-2-ol

1,1-dibromo-3-methylbutan-2-ol (PubChem CID 15089986) has the molecular formula C5H10Br2O and a molecular weight of 245.94 g/mol. Its IUPAC name is 1,1-dibromo-3-methylbutan-2-ol.

Molecular Properties

Compound Name1,1-dibromo-3-methylbutan-2-ol
PubChem CID15089986
Molecular FormulaC5H10Br2O
Molecular Weight245.94 g/mol
Exact Mass243.91
IUPAC Name1,1-dibromo-3-methylbutan-2-ol
SMILESCC(C)C(O)C(Br)Br
InChIInChI=1S/C5H10Br2O/c1-3(2)4(8)5(6)7/h3-5,8H,1-2H3
InChIKeyHQPIKBCIRJHVHN-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.94
LogP ≤ 52.12
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

1,1,3-tribromobutan-2-ol
CID 23054816
4,5-dibromo-2-methylhexan-3-ol
CID 18921056
1,1-dibromo-2-methylpropane
CID 11663
2,5-dibromohexane-3,4-diol
CID 102249432
(3R)-4-methylpentane-2,3-diol
CID 59911125
(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
CID 130641963
tetrakis(propan-2-ol);samarium
CID 175326578
(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol
CID 177129718
1-(1-bromoethylamino)ethanol
CID 174881893
2,2,5-trimethylhexane-3,4-diol
CID 103456431
1,2,2-tribromoethanol
CID 19422875
3-methyl-1-(methylamino)butane-1,2-diol
CID 20675823

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-methylbutan-2-ol?
The IUPAC name of 1,1-dibromo-3-methylbutan-2-ol (CID 15089986) is 1,1-dibromo-3-methylbutan-2-ol.
What is the SMILES notation for 1,1-dibromo-3-methylbutan-2-ol?
The canonical SMILES for 1,1-dibromo-3-methylbutan-2-ol is CC(C)C(O)C(Br)Br.
What is the InChIKey of 1,1-dibromo-3-methylbutan-2-ol?
The InChIKey is HQPIKBCIRJHVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2O/c1-3(2)4(8)5(6)7/h3-5,8H,1-2H3.
What are the key properties of 1,1-dibromo-3-methylbutan-2-ol?
1,1-dibromo-3-methylbutan-2-ol has a molecular weight of 245.94 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-methylbutan-2-ol is sourced from PubChem (CID 15089986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).