5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate

C16H30O3Si — CID 10924521

IUPAC5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(2,3)14(17)18-12-10-9-11-13-19-20(7,8)16(4,5)6/h11-13H2,1-8H3
InChIKeyOJRINNKKGOKSQC-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.99
Rot. Bonds4

About 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate

5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate (PubChem CID 10924521) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate
PubChem CID10924521
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(2,3)14(17)18-12-10-9-11-13-19-20(7,8)16(4,5)6/h11-13H2,1-8H3
InChIKeyOJRINNKKGOKSQC-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-((tert-butyldimethylsilyl)oxy)but-2-ynoate
CID 11117822
Ethyl 5-tri(propan-2-yl)silyloxypent-2-ynoate
CID 10542121
Ethyl 4-(trimethylsilyl)-3-butynoate
CID 11298356
2-Butynoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester
CID 11447879
Ethyl 5-[(tert-butyldimethylsilyl)oxy]pent-2-ynoate
CID 11455521
Methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate
CID 11459539
Methyl 5-((tert-butyldimethylsilyl)oxy)pent-2-ynoate
CID 12658853
Trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate
CID 11076509
Ethyl 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoate
CID 11346650
1-[Tert-butyl(dimethyl)silyl]but-2-ynyl acetate
CID 24776748
1-[Tert-butyl(dimethyl)silyl]oxynon-4-yn-3-yl 2,2-dimethylpropanoate
CID 24851615
Hexa-2,4-diyn-1-yl 3-(tert-butyldimethylsilyl)propiolate
CID 124081080

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate (CID 10924521) is 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate?
The InChIKey is OJRINNKKGOKSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(2,3)14(17)18-12-10-9-11-13-19-20(7,8)16(4,5)6/h11-13H2,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate?
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate has a molecular weight of 298.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10924521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).