methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate

C30H44O3Si — CID 11155893

IUPACmethyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate
SMILESCOC(=O)[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44O3Si/c1-23(19-24(2)21-26(4)29(31)32-8)20-25(3)22-33-34(30(5,6)7,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,21,23,25-26H,19-20,22H2,1-8H3/b24-21+/t23-,25-,26+/m1/s1
InChIKeyWHWOMTXWYLJYGD-OADBEPRPSA-N
MW480.77 g/mol
LogP6.37
Rot. Bonds11

About methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate

methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate (PubChem CID 11155893) has the molecular formula C30H44O3Si and a molecular weight of 480.77 g/mol. Its IUPAC name is methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate.

Molecular Properties

Compound Namemethyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate
PubChem CID11155893
Molecular FormulaC30H44O3Si
Molecular Weight480.77 g/mol
Exact Mass480.31
IUPAC Namemethyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate
SMILESCOC(=O)[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44O3Si/c1-23(19-24(2)21-26(4)29(31)32-8)20-25(3)22-33-34(30(5,6)7,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,21,23,25-26H,19-20,22H2,1-8H3/b24-21+/t23-,25-,26+/m1/s1
InChIKeyWHWOMTXWYLJYGD-OADBEPRPSA-N
XLogP6.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate?
The IUPAC name of methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate (CID 11155893) is methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate.
What is the SMILES notation for methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate?
The canonical SMILES for methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate is COC(=O)[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate?
The InChIKey is WHWOMTXWYLJYGD-OADBEPRPSA-N. The full InChI is InChI=1S/C30H44O3Si/c1-23(19-24(2)21-26(4)29(31)32-8)20-25(3)22-33-34(30(5,6)7,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,21,23,25-26H,19-20,22H2,1-8H3/b24-21+/t23-,25-,26+/m1/s1.
What are the key properties of methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate?
methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate has a molecular weight of 480.77 g/mol, XLogP of 6.37, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,6S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethylnon-3-enoate is sourced from PubChem (CID 11155893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).