methyl (3R)-3-methyl-5-oxoundecanoate

C13H24O3 — CID 13198418

IUPACmethyl (3R)-3-methyl-5-oxoundecanoate
SMILESCCCCCCC(=O)C[C@@H](C)CC(=O)OC
InChIInChI=1S/C13H24O3/c1-4-5-6-7-8-12(14)9-11(2)10-13(15)16-3/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyZPJGVVQTSDBISW-LLVKDONJSA-N
MW228.33 g/mol
LogP3.12
Rot. Bonds9

About methyl (3R)-3-methyl-5-oxoundecanoate

methyl (3R)-3-methyl-5-oxoundecanoate (PubChem CID 13198418) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is methyl (3R)-3-methyl-5-oxoundecanoate.

Molecular Properties

Compound Namemethyl (3R)-3-methyl-5-oxoundecanoate
PubChem CID13198418
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namemethyl (3R)-3-methyl-5-oxoundecanoate
SMILESCCCCCCC(=O)C[C@@H](C)CC(=O)OC
InChIInChI=1S/C13H24O3/c1-4-5-6-7-8-12(14)9-11(2)10-13(15)16-3/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyZPJGVVQTSDBISW-LLVKDONJSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (3R)-3-methyl-5-oxoundecanoate 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

methyl 3-methylnonadecanoate
CID 71374081
4-methyltetradecan-6-one
CID 12635285
5-methyltridecan-7-one
CID 71413449
12-methylhenicosan-10-one
CID 71761778
methyl 6-oxoicosanoate
CID 57100590
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885
methyl 3-methyl-4-oxoundecanoate
CID 13301938
methyl 3,6-dimethyltetracosanoate
CID 568165
2,4-dimethyltetradecan-6-one
CID 57292607
methyl 3,5-dimethyldodecanoate
CID 56935975
copper methyl 3-oxoicosanoate
CID 158027661

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-methyl-5-oxoundecanoate?
The IUPAC name of methyl (3R)-3-methyl-5-oxoundecanoate (CID 13198418) is methyl (3R)-3-methyl-5-oxoundecanoate.
What is the SMILES notation for methyl (3R)-3-methyl-5-oxoundecanoate?
The canonical SMILES for methyl (3R)-3-methyl-5-oxoundecanoate is CCCCCCC(=O)C[C@@H](C)CC(=O)OC.
What is the InChIKey of methyl (3R)-3-methyl-5-oxoundecanoate?
The InChIKey is ZPJGVVQTSDBISW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-5-6-7-8-12(14)9-11(2)10-13(15)16-3/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (3R)-3-methyl-5-oxoundecanoate?
methyl (3R)-3-methyl-5-oxoundecanoate has a molecular weight of 228.33 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-methyl-5-oxoundecanoate is sourced from PubChem (CID 13198418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).