2-(1-bromo-2,2-dimethylpropoxy)ethanol

C7H15BrO2 — CID 174323230

IUPAC2-(1-bromo-2,2-dimethylpropoxy)ethanol
SMILESCC(C)(C)C(Br)OCCO
InChIInChI=1S/C7H15BrO2/c1-7(2,3)6(8)10-5-4-9/h6,9H,4-5H2,1-3H3
InChIKeyZBTAXNYIGREDAV-UHFFFAOYSA-N
MW211.10 g/mol
LogP1.76
Rot. Bonds3

About 2-(1-bromo-2,2-dimethylpropoxy)ethanol

2-(1-bromo-2,2-dimethylpropoxy)ethanol (PubChem CID 174323230) has the molecular formula C7H15BrO2 and a molecular weight of 211.10 g/mol. Its IUPAC name is 2-(1-bromo-2,2-dimethylpropoxy)ethanol.

Molecular Properties

Compound Name2-(1-bromo-2,2-dimethylpropoxy)ethanol
PubChem CID174323230
Molecular FormulaC7H15BrO2
Molecular Weight211.10 g/mol
Exact Mass210.03
IUPAC Name2-(1-bromo-2,2-dimethylpropoxy)ethanol
SMILESCC(C)(C)C(Br)OCCO
InChIInChI=1S/C7H15BrO2/c1-7(2,3)6(8)10-5-4-9/h6,9H,4-5H2,1-3H3
InChIKeyZBTAXNYIGREDAV-UHFFFAOYSA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol
CID 168837690
2-(2,2,6-trimethylheptan-3-yloxy)ethanol
CID 142712551
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-bromo-2-(2-hydroxyethoxy)acetamide
CID 175386599
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
2-(2-hydroxyethoxy)propanoate
CID 19884519
5-(2-hydroxyethoxy)-3,3,6,6-tetramethylheptanenitrile
CID 134479837
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
2-(2-hydroxyethoxy)propane-1,1-diol
CID 159544993
2-[hydroxy(methoxy)methoxy]ethanol
CID 88839058

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2,2-dimethylpropoxy)ethanol?
The IUPAC name of 2-(1-bromo-2,2-dimethylpropoxy)ethanol (CID 174323230) is 2-(1-bromo-2,2-dimethylpropoxy)ethanol.
What is the SMILES notation for 2-(1-bromo-2,2-dimethylpropoxy)ethanol?
The canonical SMILES for 2-(1-bromo-2,2-dimethylpropoxy)ethanol is CC(C)(C)C(Br)OCCO.
What is the InChIKey of 2-(1-bromo-2,2-dimethylpropoxy)ethanol?
The InChIKey is ZBTAXNYIGREDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO2/c1-7(2,3)6(8)10-5-4-9/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-(1-bromo-2,2-dimethylpropoxy)ethanol?
2-(1-bromo-2,2-dimethylpropoxy)ethanol has a molecular weight of 211.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2,2-dimethylpropoxy)ethanol is sourced from PubChem (CID 174323230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).