trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate

C18H38O4Si2 — CID 91752398

IUPACtrimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate
SMILESC[Si](C)(C)OCC1OC1CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-23(2,3)20-15-17-16(21-17)13-11-9-7-8-10-12-14-18(19)22-24(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyIYBRDDKBLLNBMU-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.10
Rot. Bonds13

About trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate

trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate (PubChem CID 91752398) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate.

Molecular Properties

Compound Nametrimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate
PubChem CID91752398
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Nametrimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate
SMILESC[Si](C)(C)OCC1OC1CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-23(2,3)20-15-17-16(21-17)13-11-9-7-8-10-12-14-18(19)22-24(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyIYBRDDKBLLNBMU-UHFFFAOYSA-N
XLogP5.10
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
The IUPAC name of trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate (CID 91752398) is trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate.
What is the SMILES notation for trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
The canonical SMILES for trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate is C[Si](C)(C)OCC1OC1CCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
The InChIKey is IYBRDDKBLLNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-23(2,3)20-15-17-16(21-17)13-11-9-7-8-10-12-14-18(19)22-24(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate has a molecular weight of 374.67 g/mol, XLogP of 5.10, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate is sourced from PubChem (CID 91752398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).