methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate

C12H24O5Si — CID 175235861

IUPACmethyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate
SMILESCOC(=O)C(CC[Si](C)(OC)OC)C(C)CC=O
InChIInChI=1S/C12H24O5Si/c1-10(6-8-13)11(12(14)15-2)7-9-18(5,16-3)17-4/h8,10-11H,6-7,9H2,1-5H3
InChIKeyKZLRTOCBNAXUSP-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.76
Rot. Bonds9

About methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate

methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate (PubChem CID 175235861) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate
PubChem CID175235861
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Namemethyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate
SMILESCOC(=O)C(CC[Si](C)(OC)OC)C(C)CC=O
InChIInChI=1S/C12H24O5Si/c1-10(6-8-13)11(12(14)15-2)7-9-18(5,16-3)17-4/h8,10-11H,6-7,9H2,1-5H3
InChIKeyKZLRTOCBNAXUSP-UHFFFAOYSA-N
XLogP1.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
The IUPAC name of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate (CID 175235861) is methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate.
What is the SMILES notation for methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
The canonical SMILES for methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate is COC(=O)C(CC[Si](C)(OC)OC)C(C)CC=O.
What is the InChIKey of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
The InChIKey is KZLRTOCBNAXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-10(6-8-13)11(12(14)15-2)7-9-18(5,16-3)17-4/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate has a molecular weight of 276.40 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate is sourced from PubChem (CID 175235861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).