2-(bromomethyl)-2-ethylbutan-1-ol

C7H15BrO — CID 14105233

IUPAC2-(bromomethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CBr
InChIInChI=1S/C7H15BrO/c1-3-7(4-2,5-8)6-9/h9H,3-6H2,1-2H3
InChIKeySKOLAVXGNXAGGD-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.18
Rot. Bonds4

About 2-(bromomethyl)-2-ethylbutan-1-ol

2-(bromomethyl)-2-ethylbutan-1-ol (PubChem CID 14105233) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 2-(bromomethyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(bromomethyl)-2-ethylbutan-1-ol
PubChem CID14105233
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name2-(bromomethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CBr
InChIInChI=1S/C7H15BrO/c1-3-7(4-2,5-8)6-9/h9H,3-6H2,1-2H3
InChIKeySKOLAVXGNXAGGD-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-2-ethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(bromomethyl)-2-ethylbutan-1-ol (CID 14105233) is 2-(bromomethyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(bromomethyl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(bromomethyl)-2-ethylbutan-1-ol is CCC(CC)(CO)CBr.
What is the InChIKey of 2-(bromomethyl)-2-ethylbutan-1-ol?
The InChIKey is SKOLAVXGNXAGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-3-7(4-2,5-8)6-9/h9H,3-6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-2-ethylbutan-1-ol?
2-(bromomethyl)-2-ethylbutan-1-ol has a molecular weight of 195.10 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 14105233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).