[2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate

C20H40O8Si2 — CID 162082219

IUPAC[2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
SMILESC=C(C)C(=O)CCC(=O)OCC(O)COCCOCC(C)C[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C20H40O8Si2/c1-16(2)19(22)8-9-20(23)27-14-18(21)13-26-11-10-25-12-17(3)15-30(7,24)28-29(4,5)6/h17-18,21,24H,1,8-15H2,2-7H3
InChIKeyNZINEFCWWSQRRS-UHFFFAOYSA-N
MW464.70 g/mol
LogP2.40
Rot. Bonds17

About [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate

[2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate (PubChem CID 162082219) has the molecular formula C20H40O8Si2 and a molecular weight of 464.70 g/mol. Its IUPAC name is [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
PubChem CID162082219
Molecular FormulaC20H40O8Si2
Molecular Weight464.70 g/mol
Exact Mass464.23
IUPAC Name[2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate
SMILESC=C(C)C(=O)CCC(=O)OCC(O)COCCOCC(C)C[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C20H40O8Si2/c1-16(2)19(22)8-9-20(23)27-14-18(21)13-26-11-10-25-12-17(3)15-30(7,24)28-29(4,5)6/h17-18,21,24H,1,8-15H2,2-7H3
InChIKeyNZINEFCWWSQRRS-UHFFFAOYSA-N
XLogP2.40
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
The IUPAC name of [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate (CID 162082219) is [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate.
What is the SMILES notation for [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
The canonical SMILES for [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate is C=C(C)C(=O)CCC(=O)OCC(O)COCCOCC(C)C[Si](C)(O)O[Si](C)(C)C.
What is the InChIKey of [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
The InChIKey is NZINEFCWWSQRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O8Si2/c1-16(2)19(22)8-9-20(23)27-14-18(21)13-26-11-10-25-12-17(3)15-30(7,24)28-29(4,5)6/h17-18,21,24H,1,8-15H2,2-7H3.
What are the key properties of [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate?
[2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate has a molecular weight of 464.70 g/mol, XLogP of 2.40, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]ethoxy]propyl] 5-methyl-4-oxohex-5-enoate is sourced from PubChem (CID 162082219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).