1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate

C12H24O5Si — CID 175016513

IUPAC1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate
SMILESCCC(OC(=O)C(C)=C(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C12H24O5Si/c1-8-11(18(14-5,15-6)16-7)17-12(13)10(4)9(2)3/h11H,8H2,1-7H3
InChIKeyIXQJZXFYSGBPMZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.08
Rot. Bonds7

About 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate

1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate (PubChem CID 175016513) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Name1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate
PubChem CID175016513
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate
SMILESCCC(OC(=O)C(C)=C(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C12H24O5Si/c1-8-11(18(14-5,15-6)16-7)17-12(13)10(4)9(2)3/h11H,8H2,1-7H3
InChIKeyIXQJZXFYSGBPMZ-UHFFFAOYSA-N
XLogP2.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate?
The IUPAC name of 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate (CID 175016513) is 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate is CCC(OC(=O)C(C)=C(C)C)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate?
The InChIKey is IXQJZXFYSGBPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-8-11(18(14-5,15-6)16-7)17-12(13)10(4)9(2)3/h11H,8H2,1-7H3.
What are the key properties of 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate?
1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate has a molecular weight of 276.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 175016513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).