methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate

C12H24O5Si — CID 552607

IUPACmethyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate
SMILESCOCC(=O)CCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C12H24O5Si/c1-15-9-10(13)6-7-11(8-12(14)16-2)17-18(3,4)5/h11H,6-9H2,1-5H3
InChIKeyPMVXGMZZUFBIHK-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.77
Rot. Bonds9

About methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate

methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate (PubChem CID 552607) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate.

Molecular Properties

Compound Namemethyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate
PubChem CID552607
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Namemethyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate
SMILESCOCC(=O)CCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C12H24O5Si/c1-15-9-10(13)6-7-11(8-12(14)16-2)17-18(3,4)5/h11H,6-9H2,1-5H3
InChIKeyPMVXGMZZUFBIHK-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520
methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate
CID 134878017
Dimethyl 3-trimethylsiloxy-heptanedioate
CID 552608
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one
CID 23726558
Methyl 2-oxo-5-trimethylsilyloxyhexanoate
CID 46916014
dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate
CID 102505680

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate?
The IUPAC name of methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate (CID 552607) is methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate.
What is the SMILES notation for methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate?
The canonical SMILES for methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate is COCC(=O)CCC(CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate?
The InChIKey is PMVXGMZZUFBIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-15-9-10(13)6-7-11(8-12(14)16-2)17-18(3,4)5/h11H,6-9H2,1-5H3.
What are the key properties of methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate?
methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate has a molecular weight of 276.40 g/mol, XLogP of 1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-6-oxo-3-trimethylsilyloxyheptanoate is sourced from PubChem (CID 552607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).