3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate

C14H28O6Si — CID 59364516

IUPAC3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
SMILESCOCCOC(=O)CC(=O)OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O6Si/c1-14(2,3)21(5,6)20-10-9-19-13(16)11-12(15)18-8-7-17-4/h7-11H2,1-6H3
InChIKeyDKVLSAYYKCFQED-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.13
Rot. Bonds9

About 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate

3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate (PubChem CID 59364516) has the molecular formula C14H28O6Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate.

Molecular Properties

Compound Name3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
PubChem CID59364516
Molecular FormulaC14H28O6Si
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
SMILESCOCCOC(=O)CC(=O)OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O6Si/c1-14(2,3)21(5,6)20-10-9-19-13(16)11-12(15)18-8-7-17-4/h7-11H2,1-6H3
InChIKeyDKVLSAYYKCFQED-UHFFFAOYSA-N
XLogP2.13
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide
CID 153434877
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate
CID 57115648
2-methoxyethyl 4,4,4-trifluoro-3-oxobutanoate
CID 139223532
[tert-butyl(dimethyl)silyl] 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 91743862
2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]acetic acid
CID 170898180
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269

Frequently Asked Questions

What is the IUPAC name of 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate?
The IUPAC name of 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate (CID 59364516) is 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate.
What is the SMILES notation for 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate?
The canonical SMILES for 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate is COCCOC(=O)CC(=O)OCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate?
The InChIKey is DKVLSAYYKCFQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6Si/c1-14(2,3)21(5,6)20-10-9-19-13(16)11-12(15)18-8-7-17-4/h7-11H2,1-6H3.
What are the key properties of 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate?
3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate has a molecular weight of 320.46 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate is sourced from PubChem (CID 59364516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).