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

C35H58O19Si5 — CID 101340901

IUPAC3-[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
SMILESC=C(C)C(=O)OCCC[Si]1(O)O[Si]2(CCCOC(=O)C(=C)C)O[Si](O)(CCCOC(=O)C(=C)C)O[Si](CCCOC(=O)C(=C)C)(O1)O[Si](O)(CCCOC(=O)C(=C)C)O2
InChIInChI=1S/C35H58O19Si5/c1-26(2)31(36)44-16-11-21-55(41)49-58(24-14-19-47-34(39)29(7)8)51-56(42,22-12-17-45-32(37)27(3)4)52-59(50-55,25-15-20-48-35(40)30(9)10)54-57(43,53-58)23-13-18-46-33(38)28(5)6/h41-43H,1,3,5,7,9,11-25H2,2,4,6,8,10H3
InChIKeySJKWRGJUXIIFRN-UHFFFAOYSA-N
MW923.26 g/mol
LogP3.33
Rot. Bonds25

About 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

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 (PubChem CID 101340901) has the molecular formula C35H58O19Si5 and a molecular weight of 923.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID101340901
Molecular FormulaC35H58O19Si5
Molecular Weight923.26 g/mol
Exact Mass922.24
IUPAC Name3-[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
SMILESC=C(C)C(=O)OCCC[Si]1(O)O[Si]2(CCCOC(=O)C(=C)C)O[Si](O)(CCCOC(=O)C(=C)C)O[Si](CCCOC(=O)C(=C)C)(O1)O[Si](O)(CCCOC(=O)C(=C)C)O2
InChIInChI=1S/C35H58O19Si5/c1-26(2)31(36)44-16-11-21-55(41)49-58(24-14-19-47-34(39)29(7)8)51-56(42,22-12-17-45-32(37)27(3)4)52-59(50-55,25-15-20-48-35(40)30(9)10)54-57(43,53-58)23-13-18-46-33(38)28(5)6/h41-43H,1,3,5,7,9,11-25H2,2,4,6,8,10H3
InChIKeySJKWRGJUXIIFRN-UHFFFAOYSA-N
XLogP3.33
TPSA247.57 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.26
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

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-[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 with MolForge

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Related Compounds

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
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
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
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
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-[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
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3-sulfanylpropyl 2-methylprop-2-enoate
CID 10034892
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)C(=O)OCCC[Si]1(O)O[Si]2(CCCOC(=O)C(=C)C)O[Si](O)(CCCOC(=O)C(=C)C)O[Si](CCCOC(=O)C(=C)C)(O1)O[Si](O)(CCCOC(=O)C(=C)C)O2.
What is the InChIKey of 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?
The InChIKey is SJKWRGJUXIIFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H58O19Si5/c1-26(2)31(36)44-16-11-21-55(41)49-58(24-14-19-47-34(39)29(7)8)51-56(42,22-12-17-45-32(37)27(3)4)52-59(50-55,25-15-20-48-35(40)30(9)10)54-57(43,53-58)23-13-18-46-33(38)28(5)6/h41-43H,1,3,5,7,9,11-25H2,2,4,6,8,10H3.
What are the key properties of 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?
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 has a molecular weight of 923.26 g/mol, XLogP of 3.33, 25 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101340901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).