3-(3-trimethoxysilylpropoxy)propyl but-2-enoate

C13H26O6Si — CID 141411136

IUPAC3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
SMILESCC=CC(=O)OCCCOCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H26O6Si/c1-5-8-13(14)19-11-6-9-18-10-7-12-20(15-2,16-3)17-4/h5,8H,6-7,9-12H2,1-4H3
InChIKeyDLGHBEBNPPZRPN-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.78
Rot. Bonds12

About 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate

3-(3-trimethoxysilylpropoxy)propyl but-2-enoate (PubChem CID 141411136) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate.

Molecular Properties

Compound Name3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
PubChem CID141411136
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
SMILESCC=CC(=O)OCCCOCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H26O6Si/c1-5-8-13(14)19-11-6-9-18-10-7-12-20(15-2,16-3)17-4/h5,8H,6-7,9-12H2,1-4H3
InChIKeyDLGHBEBNPPZRPN-UHFFFAOYSA-N
XLogP1.78
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate
CID 142736749
3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
CID 91235537
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982
4-trifluorosilylbutyl but-2-enoate
CID 174106149
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708

Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate?
The IUPAC name of 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate (CID 141411136) is 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate.
What is the SMILES notation for 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate?
The canonical SMILES for 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate is CC=CC(=O)OCCCOCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate?
The InChIKey is DLGHBEBNPPZRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-5-8-13(14)19-11-6-9-18-10-7-12-20(15-2,16-3)17-4/h5,8H,6-7,9-12H2,1-4H3.
What are the key properties of 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate?
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate has a molecular weight of 306.43 g/mol, XLogP of 1.78, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethoxysilylpropoxy)propyl but-2-enoate is sourced from PubChem (CID 141411136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).