3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate

C14H26O5Si — CID 174924853

IUPAC3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)CCO[Si](CCCOC(=O)C(=C)C)(OC)OC
InChIInChI=1S/C14H26O5Si/c1-12(2)8-10-19-20(16-5,17-6)11-7-9-18-14(15)13(3)4/h1,3,7-11H2,2,4-6H3
InChIKeyYQZMTKABJNZZNB-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.71
Rot. Bonds11

About 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate

3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate (PubChem CID 174924853) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
PubChem CID174924853
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)CCO[Si](CCCOC(=O)C(=C)C)(OC)OC
InChIInChI=1S/C14H26O5Si/c1-12(2)8-10-19-20(16-5,17-6)11-7-9-18-14(15)13(3)4/h1,3,7-11H2,2,4-6H3
InChIKeyYQZMTKABJNZZNB-UHFFFAOYSA-N
XLogP2.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.71
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
CID 175429463
3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
CID 139788654
3-silylpropyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
CID 174967199
4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate
CID 154119799
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate
CID 59943363
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate (CID 174924853) is 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate is C=C(C)CCO[Si](CCCOC(=O)C(=C)C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is YQZMTKABJNZZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-12(2)8-10-19-20(16-5,17-6)11-7-9-18-14(15)13(3)4/h1,3,7-11H2,2,4-6H3.
What are the key properties of 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate?
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 302.44 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 174924853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).