hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate

C40H60O15Si — CID 10629209

IUPAChexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C/C=C/CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C40H60O15Si/c1-14-40(55-56(12,13)36(2,3)4)27-39(40,35(47)54-11)26-20-19-25-38(33(45)52-9,34(46)53-10)24-18-17-23-37(31(43)50-7,32(44)51-8)22-16-15-21-28(29(41)48-5)30(42)49-6/h14-20,28H,1,21-27H2,2-13H3/b16-15+,18-17+,20-19+
InChIKeyVTEVCGQNOAIBIY-LVJOJNLGSA-N
MW808.99 g/mol
LogP5.13
Rot. Bonds22

About hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate

hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate (PubChem CID 10629209) has the molecular formula C40H60O15Si and a molecular weight of 808.99 g/mol. Its IUPAC name is hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate.

Molecular Properties

Compound Namehexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate
PubChem CID10629209
Molecular FormulaC40H60O15Si
Molecular Weight808.99 g/mol
Exact Mass808.37
IUPAC Namehexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C/C=C/CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C40H60O15Si/c1-14-40(55-56(12,13)36(2,3)4)27-39(40,35(47)54-11)26-20-19-25-38(33(45)52-9,34(46)53-10)24-18-17-23-37(31(43)50-7,32(44)51-8)22-16-15-21-28(29(41)48-5)30(42)49-6/h14-20,28H,1,21-27H2,2-13H3/b16-15+,18-17+,20-19+
InChIKeyVTEVCGQNOAIBIY-LVJOJNLGSA-N
XLogP5.13
TPSA193.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.99
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate?
The IUPAC name of hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate (CID 10629209) is hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate.
What is the SMILES notation for hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate?
The canonical SMILES for hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate is C=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C/C=C/CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate?
The InChIKey is VTEVCGQNOAIBIY-LVJOJNLGSA-N. The full InChI is InChI=1S/C40H60O15Si/c1-14-40(55-56(12,13)36(2,3)4)27-39(40,35(47)54-11)26-20-19-25-38(33(45)52-9,34(46)53-10)24-18-17-23-37(31(43)50-7,32(44)51-8)22-16-15-21-28(29(41)48-5)30(42)49-6/h14-20,28H,1,21-27H2,2-13H3/b16-15+,18-17+,20-19+.
What are the key properties of hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate?
hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate has a molecular weight of 808.99 g/mol, XLogP of 5.13, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate is sourced from PubChem (CID 10629209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).