(2R)-8-bromo-2-methyloctanoic acid

C9H17BrO2 — CID 163580387

IUPAC(2R)-8-bromo-2-methyloctanoic acid
SMILESC[C@H](CCCCCCBr)C(=O)O
InChIInChI=1S/C9H17BrO2/c1-8(9(11)12)6-4-2-3-5-7-10/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyGHBKZAJXCXDEAK-MRVPVSSYSA-N
MW237.14 g/mol
LogP3.05
Rot. Bonds7

About (2R)-8-bromo-2-methyloctanoic acid

(2R)-8-bromo-2-methyloctanoic acid (PubChem CID 163580387) has the molecular formula C9H17BrO2 and a molecular weight of 237.14 g/mol. Its IUPAC name is (2R)-8-bromo-2-methyloctanoic acid.

Molecular Properties

Compound Name(2R)-8-bromo-2-methyloctanoic acid
PubChem CID163580387
Molecular FormulaC9H17BrO2
Molecular Weight237.14 g/mol
Exact Mass236.04
IUPAC Name(2R)-8-bromo-2-methyloctanoic acid
SMILESC[C@H](CCCCCCBr)C(=O)O
InChIInChI=1S/C9H17BrO2/c1-8(9(11)12)6-4-2-3-5-7-10/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyGHBKZAJXCXDEAK-MRVPVSSYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-8-bromo-2-methyloctanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
heptane;2-methylheptadecanoic acid
CID 175511035
2-methylhenicosanedioic acid
CID 21286141
2-methyloctanoic acid chloride
CID 86745562
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
2-acetyl-10-bromodecanoic acid
CID 154118814
methanol;2-methylheptanoic acid
CID 174821979
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
6-bromo-2-(1-hydroxyethyl)hexanoic acid
CID 87368284
2,11-dimethylhexadecanoic acid
CID 22251936
2,9,10-trimethyloctadecanoic acid
CID 14298664

Frequently Asked Questions

What is the IUPAC name of (2R)-8-bromo-2-methyloctanoic acid?
The IUPAC name of (2R)-8-bromo-2-methyloctanoic acid (CID 163580387) is (2R)-8-bromo-2-methyloctanoic acid.
What is the SMILES notation for (2R)-8-bromo-2-methyloctanoic acid?
The canonical SMILES for (2R)-8-bromo-2-methyloctanoic acid is C[C@H](CCCCCCBr)C(=O)O.
What is the InChIKey of (2R)-8-bromo-2-methyloctanoic acid?
The InChIKey is GHBKZAJXCXDEAK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17BrO2/c1-8(9(11)12)6-4-2-3-5-7-10/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-8-bromo-2-methyloctanoic acid?
(2R)-8-bromo-2-methyloctanoic acid has a molecular weight of 237.14 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-bromo-2-methyloctanoic acid is sourced from PubChem (CID 163580387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).