bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate

C25H52O5Si3 — CID 91752045

IUPACbis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O5Si3/c1-23(2,3)31(10,11)28-20(22(27)30-33(14,15)25(7,8)9)18-16-17-19-21(26)29-32(12,13)24(4,5)6/h18H,16-17,19H2,1-15H3/b20-18-
InChIKeyKHPINZXMIAGANO-ZZEZOPTASA-N
MW516.94 g/mol
LogP8.16
Rot. Bonds9

About bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate

bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate (PubChem CID 91752045) has the molecular formula C25H52O5Si3 and a molecular weight of 516.94 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate
PubChem CID91752045
Molecular FormulaC25H52O5Si3
Molecular Weight516.94 g/mol
Exact Mass516.31
IUPAC Namebis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O5Si3/c1-23(2,3)31(10,11)28-20(22(27)30-33(14,15)25(7,8)9)18-16-17-19-21(26)29-32(12,13)24(4,5)6/h18H,16-17,19H2,1-15H3/b20-18-
InChIKeyKHPINZXMIAGANO-ZZEZOPTASA-N
XLogP8.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.94
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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'}

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Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate (CID 91752045) is bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate is CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate?
The InChIKey is KHPINZXMIAGANO-ZZEZOPTASA-N. The full InChI is InChI=1S/C25H52O5Si3/c1-23(2,3)31(10,11)28-20(22(27)30-33(14,15)25(7,8)9)18-16-17-19-21(26)29-32(12,13)24(4,5)6/h18H,16-17,19H2,1-15H3/b20-18-.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate has a molecular weight of 516.94 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enedioate is sourced from PubChem (CID 91752045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).