1-silylpropyl 3-methoxy-2-methylprop-2-enoate

C8H16O3Si — CID 175355703

IUPAC1-silylpropyl 3-methoxy-2-methylprop-2-enoate
SMILESCCC([SiH3])OC(=O)C(C)=COC
InChIInChI=1S/C8H16O3Si/c1-4-7(12)11-8(9)6(2)5-10-3/h5,7H,4H2,1-3,12H3
InChIKeyGBNGODULCLDKHV-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.18
Rot. Bonds4

About 1-silylpropyl 3-methoxy-2-methylprop-2-enoate

1-silylpropyl 3-methoxy-2-methylprop-2-enoate (PubChem CID 175355703) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-silylpropyl 3-methoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Name1-silylpropyl 3-methoxy-2-methylprop-2-enoate
PubChem CID175355703
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name1-silylpropyl 3-methoxy-2-methylprop-2-enoate
SMILESCCC([SiH3])OC(=O)C(C)=COC
InChIInChI=1S/C8H16O3Si/c1-4-7(12)11-8(9)6(2)5-10-3/h5,7H,4H2,1-3,12H3
InChIKeyGBNGODULCLDKHV-UHFFFAOYSA-N
XLogP0.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

silyl 3-methoxy-2-methylprop-2-enoate
CID 123873390
1-silylpropyl acetate
CID 173180610
1-silylpropyl 2,3,3-trimethoxyprop-2-enoate
CID 173263424
bis(1-silylpropyl) (E)-but-2-enedioate
CID 173179150
1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate
CID 173352969
1-hydroxypropyl 2-methylbut-2-enoate
CID 174401759
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
(E)-3-methyl-4-oxo-4-pentan-3-yloxybut-2-enoic acid
CID 139892068
propan-2-yl 2-(methoxymethylidene)-3-oxopentanoate
CID 54412808
methyl 2-(methoxymethylidene)butaneperoxoate
CID 174786401
methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
CID 87773746
3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
CID 160866094

Frequently Asked Questions

What is the IUPAC name of 1-silylpropyl 3-methoxy-2-methylprop-2-enoate?
The IUPAC name of 1-silylpropyl 3-methoxy-2-methylprop-2-enoate (CID 175355703) is 1-silylpropyl 3-methoxy-2-methylprop-2-enoate.
What is the SMILES notation for 1-silylpropyl 3-methoxy-2-methylprop-2-enoate?
The canonical SMILES for 1-silylpropyl 3-methoxy-2-methylprop-2-enoate is CCC([SiH3])OC(=O)C(C)=COC.
What is the InChIKey of 1-silylpropyl 3-methoxy-2-methylprop-2-enoate?
The InChIKey is GBNGODULCLDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-4-7(12)11-8(9)6(2)5-10-3/h5,7H,4H2,1-3,12H3.
What are the key properties of 1-silylpropyl 3-methoxy-2-methylprop-2-enoate?
1-silylpropyl 3-methoxy-2-methylprop-2-enoate has a molecular weight of 188.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silylpropyl 3-methoxy-2-methylprop-2-enoate is sourced from PubChem (CID 175355703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).