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

C13H26O3Si — CID 11777305

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h11H,2,9H2,1,3-8H3
InChIKeyYOCWXOARQDOMGX-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds5

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

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate (PubChem CID 11777305) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
PubChem CID11777305
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h11H,2,9H2,1,3-8H3
InChIKeyYOCWXOARQDOMGX-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate (CID 11777305) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate is C=C(C(=O)OC)C(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The InChIKey is YOCWXOARQDOMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h11H,2,9H2,1,3-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate is sourced from PubChem (CID 11777305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).