methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate

C11H20O3 — CID 59615802

IUPACmethyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate
SMILESCOC(=O)C[C@@H](C(=O)C(C)C)C(C)C
InChIInChI=1S/C11H20O3/c1-7(2)9(6-10(12)14-5)11(13)8(3)4/h7-9H,6H2,1-5H3/t9-/m1/s1
InChIKeyIPVTZFDZHAACNG-SECBINFHSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds5

About methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate

methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate (PubChem CID 59615802) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate.

Molecular Properties

Compound Namemethyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate
PubChem CID59615802
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate
SMILESCOC(=O)C[C@@H](C(=O)C(C)C)C(C)C
InChIInChI=1S/C11H20O3/c1-7(2)9(6-10(12)14-5)11(13)8(3)4/h7-9H,6H2,1-5H3/t9-/m1/s1
InChIKeyIPVTZFDZHAACNG-SECBINFHSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45382056
methyl 3,4-dimethylpentanoate
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methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate
CID 163903219
methyl 3-(1-hydroxyethyl)-5-methyl-4-methylidenehexanoate
CID 58226594
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
(2S)-2-(2-methoxy-2-oxoethyl)-3-methylpentanoic acid
CID 158850250
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
dimethyl 2-(1-nitrosoethyl)butanedioate
CID 145121198
methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
methyl 3-(hydroxyamino)butanoate
CID 103282672
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate?
The IUPAC name of methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate (CID 59615802) is methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate.
What is the SMILES notation for methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate?
The canonical SMILES for methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate is COC(=O)C[C@@H](C(=O)C(C)C)C(C)C.
What is the InChIKey of methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate?
The InChIKey is IPVTZFDZHAACNG-SECBINFHSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)9(6-10(12)14-5)11(13)8(3)4/h7-9H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate?
methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate has a molecular weight of 200.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate is sourced from PubChem (CID 59615802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).