(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate

C16H32O5Si — CID 45278460

IUPAC(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate
SMILESCC[Si](CC)(CC)OC(C)(CCCOC(C)=O)COC(C)=O
InChIInChI=1S/C16H32O5Si/c1-7-22(8-2,9-3)21-16(6,13-20-15(5)18)11-10-12-19-14(4)17/h7-13H2,1-6H3
InChIKeyARHBSFMSIJXVGU-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.67
Rot. Bonds11

About (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate

(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate (PubChem CID 45278460) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate
PubChem CID45278460
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate
SMILESCC[Si](CC)(CC)OC(C)(CCCOC(C)=O)COC(C)=O
InChIInChI=1S/C16H32O5Si/c1-7-22(8-2,9-3)21-16(6,13-20-15(5)18)11-10-12-19-14(4)17/h7-13H2,1-6H3
InChIKeyARHBSFMSIJXVGU-UHFFFAOYSA-N
XLogP3.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylhexyl acetate
CID 90020632
[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate
CID 58593349
4,4-diethylhexyl acetate
CID 150852527
(4,4-dimethyl-7-oxooctyl) acetate
CID 11127631
11-acetyloxyundecyl acetate
CID 87784419
(4-bromo-4,4-difluorobutyl) acetate
CID 19915379
3-[diethyl(methyl)silyl]propyl acetate
CID 101001894
(4,4-dichloro-4-silylbutyl) acetate
CID 173246962
2-(4-acetyloxybutyl)-2-ethylpropanedioic acid
CID 122217540
CID 159701402
CID 159701402
CID 87429945
CID 87429945
CID 159328585
CID 159328585

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate?
The IUPAC name of (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate (CID 45278460) is (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate.
What is the SMILES notation for (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate?
The canonical SMILES for (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate is CC[Si](CC)(CC)OC(C)(CCCOC(C)=O)COC(C)=O.
What is the InChIKey of (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate?
The InChIKey is ARHBSFMSIJXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-7-22(8-2,9-3)21-16(6,13-20-15(5)18)11-10-12-19-14(4)17/h7-13H2,1-6H3.
What are the key properties of (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate?
(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate has a molecular weight of 332.51 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate is sourced from PubChem (CID 45278460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).