trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate

C13H22O4Si — CID 11076509

IUPACtrimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate
SMILESCC(C)(C)C(=O)OCC#CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-13(2,3)12(15)16-10-8-7-9-11(14)17-18(4,5)6/h9-10H2,1-6H3
InChIKeyQPOOTKNKDOBYEB-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.35
Rot. Bonds3

About trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate

trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate (PubChem CID 11076509) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate.

Molecular Properties

Compound Nametrimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate
PubChem CID11076509
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Nametrimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate
SMILESCC(C)(C)C(=O)OCC#CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-13(2,3)12(15)16-10-8-7-9-11(14)17-18(4,5)6/h9-10H2,1-6H3
InChIKeyQPOOTKNKDOBYEB-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate?
The IUPAC name of trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate (CID 11076509) is trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate.
What is the SMILES notation for trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate?
The canonical SMILES for trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate is CC(C)(C)C(=O)OCC#CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate?
The InChIKey is QPOOTKNKDOBYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-13(2,3)12(15)16-10-8-7-9-11(14)17-18(4,5)6/h9-10H2,1-6H3.
What are the key properties of trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate?
trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate has a molecular weight of 270.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-(2,2-dimethylpropanoyloxy)pent-3-ynoate is sourced from PubChem (CID 11076509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).