3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate

C40H70O15Si5 — CID 20588104

IUPAC3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si]1(C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O1
InChIInChI=1S/C40H70O15Si5/c1-31(2)36(41)46-21-16-26-56(11)51-57(12,27-17-22-47-37(42)32(3)4)53-59(14,29-19-24-49-39(44)34(7)8)55-60(15,30-20-25-50-40(45)35(9)10)54-58(13,52-56)28-18-23-48-38(43)33(5)6/h1,3,5,7,9,16-30H2,2,4,6,8,10-15H3
InChIKeyAIRANNGFEIEPGB-UHFFFAOYSA-N
MW931.41 g/mol
LogP7.99
Rot. Bonds25

About 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate

3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate (PubChem CID 20588104) has the molecular formula C40H70O15Si5 and a molecular weight of 931.41 g/mol. Its IUPAC name is 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate
PubChem CID20588104
Molecular FormulaC40H70O15Si5
Molecular Weight931.41 g/mol
Exact Mass930.36
IUPAC Name3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si]1(C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O1
InChIInChI=1S/C40H70O15Si5/c1-31(2)36(41)46-21-16-26-56(11)51-57(12,27-17-22-47-37(42)32(3)4)53-59(14,29-19-24-49-39(44)34(7)8)55-60(15,30-20-25-50-40(45)35(9)10)54-58(13,52-56)28-18-23-48-38(43)33(5)6/h1,3,5,7,9,16-30H2,2,4,6,8,10-15H3
InChIKeyAIRANNGFEIEPGB-UHFFFAOYSA-N
XLogP7.99
TPSA177.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.41
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-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

3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate
CID 22590275
4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butyl 2-methylprop-2-enoate
CID 151722672
4-[4-[2-[[[2-[[[2-[[[dimethyl-[2-[2,4,6,8-tetramethyl-4-[4-(2-methylprop-2-enoyloxy)butyl]-6,8-bis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]oxy-[2-[[[2-[4-[2-[[[dimethyl-[2-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2,4,6,8-tetramethyl-6,8-bis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2,4,6,8-tetramethyl-6,8-bis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]butyl 2-methylprop-2-enoate
CID 90129156
3-[3,7,10-trihydroxy-1,5,7,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6,8,9,11-hexaoxa-1,3,5,7,10-pentasilabicyclo[3.3.3]undecan-3-yl]propyl 2-methylprop-2-enoate
CID 101340901
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[3,5,7,9,11,13,15-heptakis[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl 2-methylpropanoate
CID 168849718
methane;3-[1,4,4,6,6,9,11,13-octamethyl-13-[3-(2-methylprop-2-enoyloxy)butyl]-5,10,12,14,15-pentaoxa-1,4,6,9,11,13-hexasilabicyclo[7.5.1]pentadecan-11-yl]propyl 2-methylprop-2-enoate;4-[2,4,6,8-tetramethyl-6-[3-(2-methylprop-2-enoyloxy)butyl]-4-[4-(2-methylprop-2-enoyloxy)butyl]-8-[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]butyl 2-methylprop-2-enoate
CID 158915302
[3-[3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59558928
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate (CID 20588104) is 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si]1(C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O1.
What is the InChIKey of 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate?
The InChIKey is AIRANNGFEIEPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H70O15Si5/c1-31(2)36(41)46-21-16-26-56(11)51-57(12,27-17-22-47-37(42)32(3)4)53-59(14,29-19-24-49-39(44)34(7)8)55-60(15,30-20-25-50-40(45)35(9)10)54-58(13,52-56)28-18-23-48-38(43)33(5)6/h1,3,5,7,9,16-30H2,2,4,6,8,10-15H3.
What are the key properties of 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate?
3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate has a molecular weight of 931.41 g/mol, XLogP of 7.99, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 20588104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).