tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate

C11H20O4 — CID 162016837

IUPACtert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate
SMILESCOC[C@@H](CC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C11H20O4/c1-8(12)9(7-14-5)6-10(13)15-11(2,3)4/h9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyYUFIXRJARVQFOL-SECBINFHSA-N
MW216.28 g/mol
LogP1.57
Rot. Bonds5

About tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate

tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate (PubChem CID 162016837) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate
PubChem CID162016837
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nametert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate
SMILESCOC[C@@H](CC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C11H20O4/c1-8(12)9(7-14-5)6-10(13)15-11(2,3)4/h9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyYUFIXRJARVQFOL-SECBINFHSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(methoxymethyl)-4-methylpentanoate
CID 123336860
tert-butyl 3-acetyl-6-(diaminomethylideneamino)hexanoate
CID 159829836
(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 12602165
tert-butyl 3-hydroxy-6-methoxyhexanoate
CID 23355644
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 3,3-diaminopropanoate
CID 57031897
(2S)-2-(acetamidomethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 58301655
2-(2-ethoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 87734415
tert-butyl (3R,5E,7Z)-5-methyl-3-(methylcarbamoyl)nona-5,7-dienoate
CID 146637036
4-methoxycarbonyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 86594384
[1-methoxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]phosphanium
CID 123691775
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate?
The IUPAC name of tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate (CID 162016837) is tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate.
What is the SMILES notation for tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate?
The canonical SMILES for tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate is COC[C@@H](CC(=O)OC(C)(C)C)C(C)=O.
What is the InChIKey of tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate?
The InChIKey is YUFIXRJARVQFOL-SECBINFHSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(12)9(7-14-5)6-10(13)15-11(2,3)4/h9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate?
tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate is sourced from PubChem (CID 162016837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).