3-trimethoxysilylpropyl 3-methylpent-2-enoate

C12H24O5Si — CID 141003616

IUPAC3-trimethoxysilylpropyl 3-methylpent-2-enoate
SMILESCCC(C)=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H24O5Si/c1-6-11(2)10-12(13)17-8-7-9-18(14-3,15-4)16-5/h10H,6-9H2,1-5H3
InChIKeyDNQAZBKRNAQDJJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.15
Rot. Bonds9

About 3-trimethoxysilylpropyl 3-methylpent-2-enoate

3-trimethoxysilylpropyl 3-methylpent-2-enoate (PubChem CID 141003616) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 3-methylpent-2-enoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 3-methylpent-2-enoate
PubChem CID141003616
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name3-trimethoxysilylpropyl 3-methylpent-2-enoate
SMILESCCC(C)=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H24O5Si/c1-6-11(2)10-12(13)17-8-7-9-18(14-3,15-4)16-5/h10H,6-9H2,1-5H3
InChIKeyDNQAZBKRNAQDJJ-UHFFFAOYSA-N
XLogP2.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-trimethoxysilylpropyl 3-methylpent-2-enoate?
The IUPAC name of 3-trimethoxysilylpropyl 3-methylpent-2-enoate (CID 141003616) is 3-trimethoxysilylpropyl 3-methylpent-2-enoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 3-methylpent-2-enoate?
The canonical SMILES for 3-trimethoxysilylpropyl 3-methylpent-2-enoate is CCC(C)=CC(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 3-methylpent-2-enoate?
The InChIKey is DNQAZBKRNAQDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-6-11(2)10-12(13)17-8-7-9-18(14-3,15-4)16-5/h10H,6-9H2,1-5H3.
What are the key properties of 3-trimethoxysilylpropyl 3-methylpent-2-enoate?
3-trimethoxysilylpropyl 3-methylpent-2-enoate has a molecular weight of 276.40 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 3-methylpent-2-enoate is sourced from PubChem (CID 141003616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).