methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate

C13H30O4Si3 — CID 173142611

IUPACmethyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate
SMILESCCC([SiH3])(O[Si](C)(C)C)C(=CO[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C13H30O4Si3/c1-9-13(18,17-20(6,7)8)11(12(14)15-2)10-16-19(3,4)5/h10H,9H2,1-8,18H3
InChIKeyTUTDETPUFGMQTA-UHFFFAOYSA-N
MW334.64 g/mol
LogP2.22
Rot. Bonds7

About methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate

methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate (PubChem CID 173142611) has the molecular formula C13H30O4Si3 and a molecular weight of 334.64 g/mol. Its IUPAC name is methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate.

Molecular Properties

Compound Namemethyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate
PubChem CID173142611
Molecular FormulaC13H30O4Si3
Molecular Weight334.64 g/mol
Exact Mass334.15
IUPAC Namemethyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate
SMILESCCC([SiH3])(O[Si](C)(C)C)C(=CO[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C13H30O4Si3/c1-9-13(18,17-20(6,7)8)11(12(14)15-2)10-16-19(3,4)5/h10H,9H2,1-8,18H3
InChIKeyTUTDETPUFGMQTA-UHFFFAOYSA-N
XLogP2.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate?
The IUPAC name of methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate (CID 173142611) is methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate.
What is the SMILES notation for methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate?
The canonical SMILES for methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate is CCC([SiH3])(O[Si](C)(C)C)C(=CO[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate?
The InChIKey is TUTDETPUFGMQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O4Si3/c1-9-13(18,17-20(6,7)8)11(12(14)15-2)10-16-19(3,4)5/h10H,9H2,1-8,18H3.
What are the key properties of methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate?
methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate has a molecular weight of 334.64 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-silyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethylidene)pentanoate is sourced from PubChem (CID 173142611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).