[1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate

C16H36O6Si3 — CID 54001473

IUPAC[1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)CO
InChIInChI=1S/C16H36O6Si3/c1-13(2)16(19)20-15(14(18)12-17)10-11-25(9,21-23(3,4)5)22-24(6,7)8/h14-15,17-18H,1,10-12H2,2-9H3
InChIKeyKLXXPHBYJHQTQK-UHFFFAOYSA-N
MW408.72 g/mol
LogP2.99
Rot. Bonds11

About [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate

[1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate (PubChem CID 54001473) has the molecular formula C16H36O6Si3 and a molecular weight of 408.72 g/mol. Its IUPAC name is [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate
PubChem CID54001473
Molecular FormulaC16H36O6Si3
Molecular Weight408.72 g/mol
Exact Mass408.18
IUPAC Name[1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)CO
InChIInChI=1S/C16H36O6Si3/c1-13(2)16(19)20-15(14(18)12-17)10-11-25(9,21-23(3,4)5)22-24(6,7)8/h14-15,17-18H,1,10-12H2,2-9H3
InChIKeyKLXXPHBYJHQTQK-UHFFFAOYSA-N
XLogP2.99
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate (CID 54001473) is [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)CO.
What is the InChIKey of [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?
The InChIKey is KLXXPHBYJHQTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O6Si3/c1-13(2)16(19)20-15(14(18)12-17)10-11-25(9,21-23(3,4)5)22-24(6,7)8/h14-15,17-18H,1,10-12H2,2-9H3.
What are the key properties of [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?
[1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate has a molecular weight of 408.72 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 54001473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).