trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate

C9H18O7Si — CID 150968479

IUPACtrimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate
SMILESCO[Si](OC)(OC)OC(=O)CCOCC1CO1
InChIInChI=1S/C9H18O7Si/c1-11-17(12-2,13-3)16-9(10)4-5-14-6-8-7-15-8/h8H,4-7H2,1-3H3
InChIKeyLNPGWLXMNWCWCJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.29
Rot. Bonds9

About trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate

trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate (PubChem CID 150968479) has the molecular formula C9H18O7Si and a molecular weight of 266.32 g/mol. Its IUPAC name is trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate.

Molecular Properties

Compound Nametrimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate
PubChem CID150968479
Molecular FormulaC9H18O7Si
Molecular Weight266.32 g/mol
Exact Mass266.08
IUPAC Nametrimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate
SMILESCO[Si](OC)(OC)OC(=O)CCOCC1CO1
InChIInChI=1S/C9H18O7Si/c1-11-17(12-2,13-3)16-9(10)4-5-14-6-8-7-15-8/h8H,4-7H2,1-3H3
InChIKeyLNPGWLXMNWCWCJ-UHFFFAOYSA-N
XLogP-0.29
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
The IUPAC name of trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate (CID 150968479) is trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate.
What is the SMILES notation for trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
The canonical SMILES for trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate is CO[Si](OC)(OC)OC(=O)CCOCC1CO1.
What is the InChIKey of trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
The InChIKey is LNPGWLXMNWCWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O7Si/c1-11-17(12-2,13-3)16-9(10)4-5-14-6-8-7-15-8/h8H,4-7H2,1-3H3.
What are the key properties of trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate has a molecular weight of 266.32 g/mol, XLogP of -0.29, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate is sourced from PubChem (CID 150968479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).