1-bromo-2,4-dimethylpentan-3-ol

C7H15BrO — CID 18920938

IUPAC1-bromo-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)C(C)CBr
InChIInChI=1S/C7H15BrO/c1-5(2)7(9)6(3)4-8/h5-7,9H,4H2,1-3H3
InChIKeyXUQNJKCBYGKKEP-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.03
Rot. Bonds3

About 1-bromo-2,4-dimethylpentan-3-ol

1-bromo-2,4-dimethylpentan-3-ol (PubChem CID 18920938) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-bromo-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-bromo-2,4-dimethylpentan-3-ol
PubChem CID18920938
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name1-bromo-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)C(C)CBr
InChIInChI=1S/C7H15BrO/c1-5(2)7(9)6(3)4-8/h5-7,9H,4H2,1-3H3
InChIKeyXUQNJKCBYGKKEP-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.03
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 1-bromo-2,4-dimethylpentan-3-ol?
The IUPAC name of 1-bromo-2,4-dimethylpentan-3-ol (CID 18920938) is 1-bromo-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-bromo-2,4-dimethylpentan-3-ol?
The canonical SMILES for 1-bromo-2,4-dimethylpentan-3-ol is CC(C)C(O)C(C)CBr.
What is the InChIKey of 1-bromo-2,4-dimethylpentan-3-ol?
The InChIKey is XUQNJKCBYGKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-5(2)7(9)6(3)4-8/h5-7,9H,4H2,1-3H3.
What are the key properties of 1-bromo-2,4-dimethylpentan-3-ol?
1-bromo-2,4-dimethylpentan-3-ol has a molecular weight of 195.10 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 18920938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).