methyl (5R)-5-methyl-8-oxononanoate

C11H20O3 — CID 56834727

IUPACmethyl (5R)-5-methyl-8-oxononanoate
SMILESCOC(=O)CCC[C@@H](C)CCC(C)=O
InChIInChI=1S/C11H20O3/c1-9(7-8-10(2)12)5-4-6-11(13)14-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyLDYUKFXTHYZQII-SECBINFHSA-N
MW200.28 g/mol
LogP2.34
Rot. Bonds7

About methyl (5R)-5-methyl-8-oxononanoate

methyl (5R)-5-methyl-8-oxononanoate (PubChem CID 56834727) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl (5R)-5-methyl-8-oxononanoate.

Molecular Properties

Compound Namemethyl (5R)-5-methyl-8-oxononanoate
PubChem CID56834727
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl (5R)-5-methyl-8-oxononanoate
SMILESCOC(=O)CCC[C@@H](C)CCC(C)=O
InChIInChI=1S/C11H20O3/c1-9(7-8-10(2)12)5-4-6-11(13)14-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyLDYUKFXTHYZQII-SECBINFHSA-N
XLogP2.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 4,9-dimethyldodecanedioate
CID 102494316
dimethyl 4-methyltetradecanedioate
CID 87116988
dimethyl 4-methylheptanedioate
CID 521222
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618
methyl 4,11-dimethyldodecanoate
CID 139586473
methyl 5-methyl-6-propan-2-yloxyhexanoate
CID 174386418
methyl 10,15-dimethylheptadecanoate
CID 162457552
methyl 17-methyltetracosanoate
CID 91697154
methyl 7-methyldodecanoate
CID 162457531
methyl 7-oxooctanoate
CID 539108
methyl 9,13-dimethylpentadecanoate
CID 162457550
azane;methyl 4-methylhexadecanoate
CID 174610409

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-methyl-8-oxononanoate?
The IUPAC name of methyl (5R)-5-methyl-8-oxononanoate (CID 56834727) is methyl (5R)-5-methyl-8-oxononanoate.
What is the SMILES notation for methyl (5R)-5-methyl-8-oxononanoate?
The canonical SMILES for methyl (5R)-5-methyl-8-oxononanoate is COC(=O)CCC[C@@H](C)CCC(C)=O.
What is the InChIKey of methyl (5R)-5-methyl-8-oxononanoate?
The InChIKey is LDYUKFXTHYZQII-SECBINFHSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(7-8-10(2)12)5-4-6-11(13)14-3/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (5R)-5-methyl-8-oxononanoate?
methyl (5R)-5-methyl-8-oxononanoate has a molecular weight of 200.28 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-methyl-8-oxononanoate is sourced from PubChem (CID 56834727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).