[2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate

C31H64O12Si3 — CID 158198822

IUPAC[2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
SMILESC=C(C)C(=O)CCC(=O)OCC(O)COCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C31H64O12Si3/c1-27(2)30(33)11-12-31(34)41-25-29(32)24-40-22-20-38-18-16-36-14-13-35-15-17-37-19-21-39-23-28(3)26-46(10,42-44(4,5)6)43-45(7,8)9/h28-29,32H,1,11-26H2,2-10H3
InChIKeyGARGXZZLPSDANK-UHFFFAOYSA-N
MW713.10 g/mol
LogP4.33
Rot. Bonds31

About [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate

[2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate (PubChem CID 158198822) has the molecular formula C31H64O12Si3 and a molecular weight of 713.10 g/mol. Its IUPAC name is [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
PubChem CID158198822
Molecular FormulaC31H64O12Si3
Molecular Weight713.10 g/mol
Exact Mass712.37
IUPAC Name[2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
SMILESC=C(C)C(=O)CCC(=O)OCC(O)COCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C31H64O12Si3/c1-27(2)30(33)11-12-31(34)41-25-29(32)24-40-22-20-38-18-16-36-14-13-35-15-17-37-19-21-39-23-28(3)26-46(10,42-44(4,5)6)43-45(7,8)9/h28-29,32H,1,11-26H2,2-10H3
InChIKeyGARGXZZLPSDANK-UHFFFAOYSA-N
XLogP4.33
TPSA137.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.10
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-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 [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
The IUPAC name of [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate (CID 158198822) is [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate.
What is the SMILES notation for [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
The canonical SMILES for [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate is C=C(C)C(=O)CCC(=O)OCC(O)COCCOCCOCCOCCOCCOCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
The InChIKey is GARGXZZLPSDANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O12Si3/c1-27(2)30(33)11-12-31(34)41-25-29(32)24-40-22-20-38-18-16-36-14-13-35-15-17-37-19-21-39-23-28(3)26-46(10,42-44(4,5)6)43-45(7,8)9/h28-29,32H,1,11-26H2,2-10H3.
What are the key properties of [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
[2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate has a molecular weight of 713.10 g/mol, XLogP of 4.33, 31 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-[2-[2-[2-[2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate is sourced from PubChem (CID 158198822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).