3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C28H55NO10Si2 — CID 174799613

IUPAC3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1CCC[Si](OC)(OC)C1(CCCN)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C18H35NO5Si.C10H20O5Si/c1-15(2)17(20)24-13-6-9-16-10-7-14-25(22-4,23-5)18(16,21-3)11-8-12-19;1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h16H,1,6-14,19H2,2-5H3;1,6-8H2,2-5H3
InChIKeyHKTKOSJECVAZJQ-UHFFFAOYSA-N
MW621.92 g/mol
LogP4.07
Rot. Bonds19

About 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate

3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 174799613) has the molecular formula C28H55NO10Si2 and a molecular weight of 621.92 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID174799613
Molecular FormulaC28H55NO10Si2
Molecular Weight621.92 g/mol
Exact Mass621.34
IUPAC Name3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1CCC[Si](OC)(OC)C1(CCCN)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C18H35NO5Si.C10H20O5Si/c1-15(2)17(20)24-13-6-9-16-10-7-14-25(22-4,23-5)18(16,21-3)11-8-12-19;1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h16H,1,6-14,19H2,2-5H3;1,6-8H2,2-5H3
InChIKeyHKTKOSJECVAZJQ-UHFFFAOYSA-N
XLogP4.07
TPSA134.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.92
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-[1,1,2-triethoxy-2-(2-methylpropyl)silinan-3-yl]propyl 2-methylprop-2-enoate
CID 174556828
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
CID 175429463
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
CID 174924853
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
CID 139788654
methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 158389436
1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate
CID 174978030
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 174799613) is 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC1CCC[Si](OC)(OC)C1(CCCN)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is HKTKOSJECVAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO5Si.C10H20O5Si/c1-15(2)17(20)24-13-6-9-16-10-7-14-25(22-4,23-5)18(16,21-3)11-8-12-19;1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h16H,1,6-14,19H2,2-5H3;1,6-8H2,2-5H3.
What are the key properties of 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 621.92 g/mol, XLogP of 4.07, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)-1,1,2-trimethoxysilinan-3-yl]propyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 174799613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).