3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate

C21H45NO7Si2 — CID 175411270

IUPAC3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate
SMILESCCO[Si](CCCOC(=O)CC(C)CN1CCC[Si]1(OCC)OCC)(OCC)OCC
InChIInChI=1S/C21H45NO7Si2/c1-7-25-30(26-8-2)16-12-14-22(30)19-20(6)18-21(23)24-15-13-17-31(27-9-3,28-10-4)29-11-5/h20H,7-19H2,1-6H3
InChIKeyWHVCYBXJNKTZGQ-UHFFFAOYSA-N
MW479.76 g/mol
LogP3.71
Rot. Bonds18

About 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate

3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate (PubChem CID 175411270) has the molecular formula C21H45NO7Si2 and a molecular weight of 479.76 g/mol. Its IUPAC name is 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate.

Molecular Properties

Compound Name3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate
PubChem CID175411270
Molecular FormulaC21H45NO7Si2
Molecular Weight479.76 g/mol
Exact Mass479.27
IUPAC Name3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate
SMILESCCO[Si](CCCOC(=O)CC(C)CN1CCC[Si]1(OCC)OCC)(OCC)OCC
InChIInChI=1S/C21H45NO7Si2/c1-7-25-30(26-8-2)16-12-14-22(30)19-20(6)18-21(23)24-15-13-17-31(27-9-3,28-10-4)29-11-5/h20H,7-19H2,1-6H3
InChIKeyWHVCYBXJNKTZGQ-UHFFFAOYSA-N
XLogP3.71
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine
CID 174990503
4-triethoxysilylbutyl propanoate
CID 141347796
6-(2,2-diethoxyazasilolidin-1-yl)hexyl-diethoxy-methylsilane
CID 175874155
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate
CID 167435005
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
1-(2,2-diethoxyazasilolidin-1-yl)propyl-triethoxysilane
CID 140943183

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate?
The IUPAC name of 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate (CID 175411270) is 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate.
What is the SMILES notation for 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate?
The canonical SMILES for 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate is CCO[Si](CCCOC(=O)CC(C)CN1CCC[Si]1(OCC)OCC)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate?
The InChIKey is WHVCYBXJNKTZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO7Si2/c1-7-25-30(26-8-2)16-12-14-22(30)19-20(6)18-21(23)24-15-13-17-31(27-9-3,28-10-4)29-11-5/h20H,7-19H2,1-6H3.
What are the key properties of 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate?
3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate has a molecular weight of 479.76 g/mol, XLogP of 3.71, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate is sourced from PubChem (CID 175411270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).