[1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate

C17H38O6Si3 — CID 176893705

IUPAC[1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate
SMILESCC=CC(=O)OC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(C)O
InChIInChI=1S/C17H38O6Si3/c1-10-11-16(19)21-17(20-14-15(2)18)12-13-26(9,22-24(3,4)5)23-25(6,7)8/h10-11,15,17-18H,12-14H2,1-9H3
InChIKeyFSSAMJKNNQYIEU-UHFFFAOYSA-N
MW422.74 g/mol
LogP3.99
Rot. Bonds12

About [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate

[1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate (PubChem CID 176893705) has the molecular formula C17H38O6Si3 and a molecular weight of 422.74 g/mol. Its IUPAC name is [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate.

Molecular Properties

Compound Name[1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate
PubChem CID176893705
Molecular FormulaC17H38O6Si3
Molecular Weight422.74 g/mol
Exact Mass422.20
IUPAC Name[1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate
SMILESCC=CC(=O)OC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(C)O
InChIInChI=1S/C17H38O6Si3/c1-10-11-16(19)21-17(20-14-15(2)18)12-13-26(9,22-24(3,4)5)23-25(6,7)8/h10-11,15,17-18H,12-14H2,1-9H3
InChIKeyFSSAMJKNNQYIEU-UHFFFAOYSA-N
XLogP3.99
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.74
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate?
The IUPAC name of [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate (CID 176893705) is [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate.
What is the SMILES notation for [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate?
The canonical SMILES for [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate is CC=CC(=O)OC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(C)O.
What is the InChIKey of [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate?
The InChIKey is FSSAMJKNNQYIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O6Si3/c1-10-11-16(19)21-17(20-14-15(2)18)12-13-26(9,22-24(3,4)5)23-25(6,7)8/h10-11,15,17-18H,12-14H2,1-9H3.
What are the key properties of [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate?
[1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate has a molecular weight of 422.74 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxypropoxy)-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enoate is sourced from PubChem (CID 176893705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).