tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate

C30H38O10Si2 — CID 177491638

IUPACtetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C(=C(/C(=O)OC)[Si](C)(C)c1ccc(OC)cc1)/C(C(=O)OC)=C(/C(=O)OC)[Si](C)(C)c1ccc(OC)cc1
InChIInChI=1S/C30H38O10Si2/c1-35-19-11-15-21(16-12-19)41(7,8)25(29(33)39-5)23(27(31)37-3)24(28(32)38-4)26(30(34)40-6)42(9,10)22-17-13-20(36-2)14-18-22/h11-18H,1-10H3/b25-23-,26-24+
InChIKeyJOWLJMVHKBTNNQ-MJPLYFDISA-N
MW614.80 g/mol
LogP2.60
Rot. Bonds11

About tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate

tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate (PubChem CID 177491638) has the molecular formula C30H38O10Si2 and a molecular weight of 614.80 g/mol. Its IUPAC name is tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate
PubChem CID177491638
Molecular FormulaC30H38O10Si2
Molecular Weight614.80 g/mol
Exact Mass614.20
IUPAC Nametetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C(=C(/C(=O)OC)[Si](C)(C)c1ccc(OC)cc1)/C(C(=O)OC)=C(/C(=O)OC)[Si](C)(C)c1ccc(OC)cc1
InChIInChI=1S/C30H38O10Si2/c1-35-19-11-15-21(16-12-19)41(7,8)25(29(33)39-5)23(27(31)37-3)24(28(32)38-4)26(30(34)40-6)42(9,10)22-17-13-20(36-2)14-18-22/h11-18H,1-10H3/b25-23-,26-24+
InChIKeyJOWLJMVHKBTNNQ-MJPLYFDISA-N
XLogP2.60
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.80
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?
The IUPAC name of tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate (CID 177491638) is tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate is COC(=O)C(=C(/C(=O)OC)[Si](C)(C)c1ccc(OC)cc1)/C(C(=O)OC)=C(/C(=O)OC)[Si](C)(C)c1ccc(OC)cc1.
What is the InChIKey of tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?
The InChIKey is JOWLJMVHKBTNNQ-MJPLYFDISA-N. The full InChI is InChI=1S/C30H38O10Si2/c1-35-19-11-15-21(16-12-19)41(7,8)25(29(33)39-5)23(27(31)37-3)24(28(32)38-4)26(30(34)40-6)42(9,10)22-17-13-20(36-2)14-18-22/h11-18H,1-10H3/b25-23-,26-24+.
What are the key properties of tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?
tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate has a molecular weight of 614.80 g/mol, XLogP of 2.60, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (1Z,3E)-1,4-bis[(4-methoxyphenyl)-dimethylsilyl]buta-1,3-diene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 177491638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).