tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate

C35H53BrO11Si — CID 10723821

IUPACtetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C/C=C/CBr)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C35H53BrO11Si/c1-12-35(47-48(10,11)31(2,3)4)25-34(35,30(41)46-9)23-16-15-21-32(26(37)42-5,27(38)43-6)19-13-14-20-33(28(39)44-7,29(40)45-8)22-17-18-24-36/h12-18H,1,19-25H2,2-11H3/b14-13+,16-15+,18-17+
InChIKeyIHGAXZHBSOLLHM-JYASHPIESA-N
MW757.79 g/mol
LogP6.17
Rot. Bonds19

About tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate

tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate (PubChem CID 10723821) has the molecular formula C35H53BrO11Si and a molecular weight of 757.79 g/mol. Its IUPAC name is tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate
PubChem CID10723821
Molecular FormulaC35H53BrO11Si
Molecular Weight757.79 g/mol
Exact Mass756.25
IUPAC Nametetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C/C=C/CBr)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C35H53BrO11Si/c1-12-35(47-48(10,11)31(2,3)4)25-34(35,30(41)46-9)23-16-15-21-32(26(37)42-5,27(38)43-6)19-13-14-20-33(28(39)44-7,29(40)45-8)22-17-18-24-36/h12-18H,1,19-25H2,2-11H3/b14-13+,16-15+,18-17+
InChIKeyIHGAXZHBSOLLHM-JYASHPIESA-N
XLogP6.17
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.79
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate?
The IUPAC name of tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate (CID 10723821) is tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate.
What is the SMILES notation for tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate?
The canonical SMILES for tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate is C=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C/C=C/CBr)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate?
The InChIKey is IHGAXZHBSOLLHM-JYASHPIESA-N. The full InChI is InChI=1S/C35H53BrO11Si/c1-12-35(47-48(10,11)31(2,3)4)25-34(35,30(41)46-9)23-16-15-21-32(26(37)42-5,27(38)43-6)19-13-14-20-33(28(39)44-7,29(40)45-8)22-17-18-24-36/h12-18H,1,19-25H2,2-11H3/b14-13+,16-15+,18-17+.
What are the key properties of tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate?
tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate has a molecular weight of 757.79 g/mol, XLogP of 6.17, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (2E,7E,12E)-1-bromo-14-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]tetradeca-2,7,12-triene-4,4,9,9-tetracarboxylate is sourced from PubChem (CID 10723821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).