pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate

C17H34O3Si — CID 101115910

IUPACpentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
SMILESC=C(C(=O)OC(CC)CC)C(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-14(11-2)19-16(18)13(4)15(12-3)20-21(8,9)17(5,6)7/h14-15H,4,10-12H2,1-3,5-9H3
InChIKeyAUFDIRKTXHRJFJ-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.07
Rot. Bonds8

About pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate

pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate (PubChem CID 101115910) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate.

Molecular Properties

Compound Namepentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
PubChem CID101115910
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namepentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
SMILESC=C(C(=O)OC(CC)CC)C(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-14(11-2)19-16(18)13(4)15(12-3)20-21(8,9)17(5,6)7/h14-15H,4,10-12H2,1-3,5-9H3
InChIKeyAUFDIRKTXHRJFJ-UHFFFAOYSA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
CID 10014732
methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637853
[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 102443003
Ethyl (z)-2-(tetrahydro-2h-pyran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138983944
Ethyl (z)-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138985139
[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 139261291
Ethyl (z)-3-ethoxy-2-((triisopropylsilyl)methylene)butanoate
CID 164666861
ethyl 2-[(1R)-1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 11108029
Ethyl 2-[1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 14634473
methyl (2Z)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637852
ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87639194
3-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropyl 2-methylidene-4-oxopentanoate
CID 89941027

Frequently Asked Questions

What is the IUPAC name of pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The IUPAC name of pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate (CID 101115910) is pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate.
What is the SMILES notation for pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The canonical SMILES for pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate is C=C(C(=O)OC(CC)CC)C(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The InChIKey is AUFDIRKTXHRJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-14(11-2)19-16(18)13(4)15(12-3)20-21(8,9)17(5,6)7/h14-15H,4,10-12H2,1-3,5-9H3.
What are the key properties of pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate has a molecular weight of 314.54 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate is sourced from PubChem (CID 101115910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).