1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate

C24H52O4Si5 — CID 173352969

IUPAC1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate
SMILESCCC([SiH3])OC(=O)C(C)=CC([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C24H52O4Si5/c1-13-20(29)26-22(25)19(2)18-21(32(11)16-14-23(3,4)27-30(32,7)8)33(12)17-15-24(5,6)28-31(33,9)10/h18,20-21H,13-17H2,1-12,29H3
InChIKeyIBCPNZSYIYMDJO-UHFFFAOYSA-N
MW545.11 g/mol
LogP5.61
Rot. Bonds6

About 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate

1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate (PubChem CID 173352969) has the molecular formula C24H52O4Si5 and a molecular weight of 545.11 g/mol. Its IUPAC name is 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate.

Molecular Properties

Compound Name1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate
PubChem CID173352969
Molecular FormulaC24H52O4Si5
Molecular Weight545.11 g/mol
Exact Mass544.27
IUPAC Name1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate
SMILESCCC([SiH3])OC(=O)C(C)=CC([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C24H52O4Si5/c1-13-20(29)26-22(25)19(2)18-21(32(11)16-14-23(3,4)27-30(32,7)8)33(12)17-15-24(5,6)28-31(33,9)10/h18,20-21H,13-17H2,1-12,29H3
InChIKeyIBCPNZSYIYMDJO-UHFFFAOYSA-N
XLogP5.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.11
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate with MolForge

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Related Compounds

1-silylpropyl 3-methoxy-2-methylprop-2-enoate
CID 175355703
1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate
CID 173370250
3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate
CID 70232650
2,2,3,3,6,6-hexamethyloxadisilinane;silyloxysilane
CID 175404731
1-silylpropyl acetate
CID 173180610
bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate
CID 67882288
2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid
CID 67708537
1-silylpropyl 2,3,3-trimethoxyprop-2-enoate
CID 173263424
bis(1-silylpropyl) (E)-but-2-enedioate
CID 173179150
ethyl-tris(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silane
CID 67018019
pentan-2-yl (E)-2,4-dimethylhex-2-enoate
CID 91749763
1-hydroxypropyl 2-methylbut-2-enoate
CID 174401759

Frequently Asked Questions

What is the IUPAC name of 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate?
The IUPAC name of 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate (CID 173352969) is 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate.
What is the SMILES notation for 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate?
The canonical SMILES for 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate is CCC([SiH3])OC(=O)C(C)=CC([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C.
What is the InChIKey of 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate?
The InChIKey is IBCPNZSYIYMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O4Si5/c1-13-20(29)26-22(25)19(2)18-21(32(11)16-14-23(3,4)27-30(32,7)8)33(12)17-15-24(5,6)28-31(33,9)10/h18,20-21H,13-17H2,1-12,29H3.
What are the key properties of 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate?
1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate has a molecular weight of 545.11 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silylpropyl 2-methyl-4,4-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoate is sourced from PubChem (CID 173352969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).