trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate

C18H34O4Si3 — CID 520339

IUPACtrimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate
SMILESC[Si](C)(C)OC(=O)C(Cc1ccc(O[Si](C)(C)C)cc1)O[Si](C)(C)C
InChIInChI=1S/C18H34O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-13,17H,14H2,1-9H3
InChIKeyZSYIYFFJWIPCPN-UHFFFAOYSA-N
MW398.72 g/mol
LogP5.04
Rot. Bonds8

About trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate

trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate (PubChem CID 520339) has the molecular formula C18H34O4Si3 and a molecular weight of 398.72 g/mol. Its IUPAC name is trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate
PubChem CID520339
Molecular FormulaC18H34O4Si3
Molecular Weight398.72 g/mol
Exact Mass398.18
IUPAC Nametrimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate
SMILESC[Si](C)(C)OC(=O)C(Cc1ccc(O[Si](C)(C)C)cc1)O[Si](C)(C)C
InChIInChI=1S/C18H34O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-13,17H,14H2,1-9H3
InChIKeyZSYIYFFJWIPCPN-UHFFFAOYSA-N
XLogP5.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate?
The IUPAC name of trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate (CID 520339) is trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate.
What is the SMILES notation for trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate?
The canonical SMILES for trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate is C[Si](C)(C)OC(=O)C(Cc1ccc(O[Si](C)(C)C)cc1)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate?
The InChIKey is ZSYIYFFJWIPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-13,17H,14H2,1-9H3.
What are the key properties of trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate?
trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate has a molecular weight of 398.72 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)propanoate is sourced from PubChem (CID 520339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).