[1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate

C16H36O6Si3 — CID 175095819

IUPAC[1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate
SMILESCC(=CCC(O)CO)C(=O)OC([SiH3])(O[Si](C)(C)C)C(C)O[Si](C)(C)C
InChIInChI=1S/C16H36O6Si3/c1-12(9-10-14(18)11-17)15(19)20-16(23,22-25(6,7)8)13(2)21-24(3,4)5/h9,13-14,17-18H,10-11H2,1-8,23H3
InChIKeyAIASSFHJSNMHOC-UHFFFAOYSA-N
MW408.72 g/mol
LogP1.33
Rot. Bonds10

About [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate

[1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate (PubChem CID 175095819) has the molecular formula C16H36O6Si3 and a molecular weight of 408.72 g/mol. Its IUPAC name is [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate.

Molecular Properties

Compound Name[1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate
PubChem CID175095819
Molecular FormulaC16H36O6Si3
Molecular Weight408.72 g/mol
Exact Mass408.18
IUPAC Name[1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate
SMILESCC(=CCC(O)CO)C(=O)OC([SiH3])(O[Si](C)(C)C)C(C)O[Si](C)(C)C
InChIInChI=1S/C16H36O6Si3/c1-12(9-10-14(18)11-17)15(19)20-16(23,22-25(6,7)8)13(2)21-24(3,4)5/h9,13-14,17-18H,10-11H2,1-8,23H3
InChIKeyAIASSFHJSNMHOC-UHFFFAOYSA-N
XLogP1.33
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-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 [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate?
The IUPAC name of [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate (CID 175095819) is [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate.
What is the SMILES notation for [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate?
The canonical SMILES for [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate is CC(=CCC(O)CO)C(=O)OC([SiH3])(O[Si](C)(C)C)C(C)O[Si](C)(C)C.
What is the InChIKey of [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate?
The InChIKey is AIASSFHJSNMHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O6Si3/c1-12(9-10-14(18)11-17)15(19)20-16(23,22-25(6,7)8)13(2)21-24(3,4)5/h9,13-14,17-18H,10-11H2,1-8,23H3.
What are the key properties of [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate?
[1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate has a molecular weight of 408.72 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-silyl-1,2-bis(trimethylsilyloxy)propyl] 5,6-dihydroxy-2-methylhex-2-enoate is sourced from PubChem (CID 175095819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).