1-silylpropyl 2,3,3-trimethoxyprop-2-enoate

C9H18O5Si — CID 173263424

IUPAC1-silylpropyl 2,3,3-trimethoxyprop-2-enoate
SMILESCCC([SiH3])OC(=O)C(OC)=C(OC)OC
InChIInChI=1S/C9H18O5Si/c1-5-6(15)14-8(10)7(11-2)9(12-3)13-4/h6H,5H2,1-4,15H3
InChIKeyMNQXDIDVOZTNBS-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.26
Rot. Bonds6

About 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate

1-silylpropyl 2,3,3-trimethoxyprop-2-enoate (PubChem CID 173263424) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate.

Molecular Properties

Compound Name1-silylpropyl 2,3,3-trimethoxyprop-2-enoate
PubChem CID173263424
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name1-silylpropyl 2,3,3-trimethoxyprop-2-enoate
SMILESCCC([SiH3])OC(=O)C(OC)=C(OC)OC
InChIInChI=1S/C9H18O5Si/c1-5-6(15)14-8(10)7(11-2)9(12-3)13-4/h6H,5H2,1-4,15H3
InChIKeyMNQXDIDVOZTNBS-UHFFFAOYSA-N
XLogP-0.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-silylpropyl 3-methoxy-2-methylprop-2-enoate
CID 175355703
1-silylpropyl acetate
CID 173180610
bis(1-silylpropyl) (E)-but-2-enedioate
CID 173179150
methyl 2-silylbutanoate
CID 174805276
1-(2-methoxyethoxy)propylsilane
CID 161372833
1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate
CID 173352969
2-(1,2-diethoxy-2-methoxyethenoxy)propane
CID 154128100
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
dimethyl oxalate
CID 11120
methyl acetate;ruthenium
CID 160799101
ethanol;methyl acetate;propan-2-ol;hydrate
CID 174971510

Frequently Asked Questions

What is the IUPAC name of 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate?
The IUPAC name of 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate (CID 173263424) is 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate.
What is the SMILES notation for 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate?
The canonical SMILES for 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate is CCC([SiH3])OC(=O)C(OC)=C(OC)OC.
What is the InChIKey of 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate?
The InChIKey is MNQXDIDVOZTNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-5-6(15)14-8(10)7(11-2)9(12-3)13-4/h6H,5H2,1-4,15H3.
What are the key properties of 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate?
1-silylpropyl 2,3,3-trimethoxyprop-2-enoate has a molecular weight of 234.32 g/mol, XLogP of -0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silylpropyl 2,3,3-trimethoxyprop-2-enoate is sourced from PubChem (CID 173263424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).