2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate

C27H54B3N3O9Si3 — CID 132530440

IUPAC2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO[Si](C)(C)C(C)B1NB(C(C)[Si](C)(C)OCCOC(=O)C=C)NB(C(C)[Si](C)(C)OCCOC(=O)C=C)N1
InChIInChI=1S/C27H54B3N3O9Si3/c1-13-25(34)37-16-19-40-43(7,8)22(4)28-31-29(23(5)44(9,10)41-20-17-38-26(35)14-2)33-30(32-28)24(6)45(11,12)42-21-18-39-27(36)15-3/h13-15,22-24,31-33H,1-3,16-21H2,4-12H3
InChIKeyCVKDIPYKIVFUPL-UHFFFAOYSA-N
MW681.43 g/mol
LogP2.87
Rot. Bonds21

About 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate

2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate (PubChem CID 132530440) has the molecular formula C27H54B3N3O9Si3 and a molecular weight of 681.43 g/mol. Its IUPAC name is 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate
PubChem CID132530440
Molecular FormulaC27H54B3N3O9Si3
Molecular Weight681.43 g/mol
Exact Mass681.34
IUPAC Name2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO[Si](C)(C)C(C)B1NB(C(C)[Si](C)(C)OCCOC(=O)C=C)NB(C(C)[Si](C)(C)OCCOC(=O)C=C)N1
InChIInChI=1S/C27H54B3N3O9Si3/c1-13-25(34)37-16-19-40-43(7,8)22(4)28-31-29(23(5)44(9,10)41-20-17-38-26(35)14-2)33-30(32-28)24(6)45(11,12)42-21-18-39-27(36)15-3/h13-15,22-24,31-33H,1-3,16-21H2,4-12H3
InChIKeyCVKDIPYKIVFUPL-UHFFFAOYSA-N
XLogP2.87
TPSA142.68 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
4-[ethoxy(dimethyl)silyl]pentyl prop-2-enoate
CID 141445425
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
2-[[[[dimethyl-[[methyl-bis(2-prop-2-enoyloxyethoxy)silyl]methyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl-methyl-(2-prop-2-enoyloxyethoxy)silyl]oxyethyl prop-2-enoate
CID 155602776
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate
CID 20631232
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate (CID 132530440) is 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate is C=CC(=O)OCCO[Si](C)(C)C(C)B1NB(C(C)[Si](C)(C)OCCOC(=O)C=C)NB(C(C)[Si](C)(C)OCCOC(=O)C=C)N1.
What is the InChIKey of 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate?
The InChIKey is CVKDIPYKIVFUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54B3N3O9Si3/c1-13-25(34)37-16-19-40-43(7,8)22(4)28-31-29(23(5)44(9,10)41-20-17-38-26(35)14-2)33-30(32-28)24(6)45(11,12)42-21-18-39-27(36)15-3/h13-15,22-24,31-33H,1-3,16-21H2,4-12H3.
What are the key properties of 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate?
2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate has a molecular weight of 681.43 g/mol, XLogP of 2.87, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4,6-bis[1-[dimethyl(2-prop-2-enoyloxyethoxy)silyl]ethyl]-1,3,5,2,4,6-triazatriborinan-2-yl]ethyl-dimethylsilyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 132530440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).