3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate

C11H20O4 — CID 153381905

IUPAC3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate
SMILESCC(=O)OC(C)(C)C(=O)OC(C)C(C)C
InChIInChI=1S/C11H20O4/c1-7(2)8(3)14-10(13)11(5,6)15-9(4)12/h7-8H,1-6H3
InChIKeyNDFZPESXVJVBHY-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds4

About 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate

3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate (PubChem CID 153381905) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate.

Molecular Properties

Compound Name3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate
PubChem CID153381905
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate
SMILESCC(=O)OC(C)(C)C(=O)OC(C)C(C)C
InChIInChI=1S/C11H20O4/c1-7(2)8(3)14-10(13)11(5,6)15-9(4)12/h7-8H,1-6H3
InChIKeyNDFZPESXVJVBHY-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
CID 134605657
3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 59594152
azane;2,3,4-trimethylpentan-3-yl acetate
CID 87190054
2,3,4-trimethylpent-3-en-2-yl acetate
CID 54206383
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
CID 118311634
3-iodobutan-2-yl 2,2,3,4-tetramethylpentanoate
CID 134605786
1,1-difluoro-2-(3-methylbutan-2-yloxy)-2-oxoethanesulfonic acid
CID 129070703
(2-amino-3-methylbutan-2-yl) acetate
CID 140983582
1-chloropropan-2-yl 2-carboxyoxy-2-methylpropanoate
CID 156560292
tert-butyl acetate
CID 159704758
3-methylbutan-2-yl carbonochloridate
CID 12601448
[(4R)-4-acetyloxy-2,2,5,5-tetramethylhexan-3-yl] acetate
CID 88576359

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate?
The IUPAC name of 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate (CID 153381905) is 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate.
What is the SMILES notation for 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate?
The canonical SMILES for 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate is CC(=O)OC(C)(C)C(=O)OC(C)C(C)C.
What is the InChIKey of 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate?
The InChIKey is NDFZPESXVJVBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(2)8(3)14-10(13)11(5,6)15-9(4)12/h7-8H,1-6H3.
What are the key properties of 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate?
3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate is sourced from PubChem (CID 153381905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).