[2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate

C16H32O5Si — CID 10544588

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
SMILESCC(=O)OCC(CO)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-12(18)20-11-16(10-17,13(19)14(2,3)4)21-22(8,9)15(5,6)7/h17H,10-11H2,1-9H3
InChIKeyMNAWTOFMZMWKLW-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.92
Rot. Bonds6

About [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate

[2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate (PubChem CID 10544588) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
PubChem CID10544588
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
SMILESCC(=O)OCC(CO)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-12(18)20-11-16(10-17,13(19)14(2,3)4)21-22(8,9)15(5,6)7/h17H,10-11H2,1-9H3
InChIKeyMNAWTOFMZMWKLW-UHFFFAOYSA-N
XLogP2.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate 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

2,2-dimethylpropyl acetate
CID 13552
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
CID 10844523
[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate
CID 10884543
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate
CID 14391248
[(2R,3R,4S,5R,6R,7S,8S)-5-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetrahydroxy-2,4,6,8-tetramethylnonyl] acetate
CID 101022370
acetyl acetate;(3-acetyloxy-2,2-dimethylpropyl) acetate;2,2-dimethylpropane-1,3-diol;methane
CID 157216906
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361
N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
CID 91697077
[2-[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]-2-(acetyloxymethyl)-3-hydroxypropyl] acetate
CID 53423506
(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-amine
CID 163618882

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate (CID 10544588) is [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate is CC(=O)OCC(CO)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate?
The InChIKey is MNAWTOFMZMWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-12(18)20-11-16(10-17,13(19)14(2,3)4)21-22(8,9)15(5,6)7/h17H,10-11H2,1-9H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate?
[2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate has a molecular weight of 332.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate is sourced from PubChem (CID 10544588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).