methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate

C14H30O5Si2 — CID 23352395

IUPACmethyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate
SMILESCOC(=O)CC(CC(CC=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H30O5Si2/c1-17-14(16)11-13(19-21(5,6)7)10-12(8-9-15)18-20(2,3)4/h9,12-13H,8,10-11H2,1-7H3
InChIKeyASXPDMAVMCSDRW-UHFFFAOYSA-N
MW334.56 g/mol
LogP2.97
Rot. Bonds10

About methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate

methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate (PubChem CID 23352395) has the molecular formula C14H30O5Si2 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate.

Molecular Properties

Compound Namemethyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate
PubChem CID23352395
Molecular FormulaC14H30O5Si2
Molecular Weight334.56 g/mol
Exact Mass334.16
IUPAC Namemethyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate
SMILESCOC(=O)CC(CC(CC=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H30O5Si2/c1-17-14(16)11-13(19-21(5,6)7)10-12(8-9-15)18-20(2,3)4/h9,12-13H,8,10-11H2,1-7H3
InChIKeyASXPDMAVMCSDRW-UHFFFAOYSA-N
XLogP2.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 52.97
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 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate?
The IUPAC name of methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate (CID 23352395) is methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate.
What is the SMILES notation for methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate?
The canonical SMILES for methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate is COC(=O)CC(CC(CC=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate?
The InChIKey is ASXPDMAVMCSDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si2/c1-17-14(16)11-13(19-21(5,6)7)10-12(8-9-15)18-20(2,3)4/h9,12-13H,8,10-11H2,1-7H3.
What are the key properties of methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate?
methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate has a molecular weight of 334.56 g/mol, XLogP of 2.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate is sourced from PubChem (CID 23352395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).