(4R)-5-bromo-4-methylpentan-1-ol

C6H13BrO — CID 139766766

IUPAC(4R)-5-bromo-4-methylpentan-1-ol
SMILESC[C@@H](CBr)CCCO
InChIInChI=1S/C6H13BrO/c1-6(5-7)3-2-4-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyNQSQJHBIDKCPRD-ZCFIWIBFSA-N
MW181.07 g/mol
LogP1.79
Rot. Bonds4

About (4R)-5-bromo-4-methylpentan-1-ol

(4R)-5-bromo-4-methylpentan-1-ol (PubChem CID 139766766) has the molecular formula C6H13BrO and a molecular weight of 181.07 g/mol. Its IUPAC name is (4R)-5-bromo-4-methylpentan-1-ol.

Molecular Properties

Compound Name(4R)-5-bromo-4-methylpentan-1-ol
PubChem CID139766766
Molecular FormulaC6H13BrO
Molecular Weight181.07 g/mol
Exact Mass180.01
IUPAC Name(4R)-5-bromo-4-methylpentan-1-ol
SMILESC[C@@H](CBr)CCCO
InChIInChI=1S/C6H13BrO/c1-6(5-7)3-2-4-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyNQSQJHBIDKCPRD-ZCFIWIBFSA-N
XLogP1.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R)-5-bromo-4-methylpentan-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 (4R)-5-bromo-4-methylpentan-1-ol?
The IUPAC name of (4R)-5-bromo-4-methylpentan-1-ol (CID 139766766) is (4R)-5-bromo-4-methylpentan-1-ol.
What is the SMILES notation for (4R)-5-bromo-4-methylpentan-1-ol?
The canonical SMILES for (4R)-5-bromo-4-methylpentan-1-ol is C[C@@H](CBr)CCCO.
What is the InChIKey of (4R)-5-bromo-4-methylpentan-1-ol?
The InChIKey is NQSQJHBIDKCPRD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13BrO/c1-6(5-7)3-2-4-8/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (4R)-5-bromo-4-methylpentan-1-ol?
(4R)-5-bromo-4-methylpentan-1-ol has a molecular weight of 181.07 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-bromo-4-methylpentan-1-ol is sourced from PubChem (CID 139766766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).