[tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate

C18H40O3Si2 — CID 15838476

IUPAC[tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCC(C)(C)[Si](C)(C)OCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14-16(19)21-23(9,10)18(4,5)6/h11-15H2,1-10H3
InChIKeyLZTDDPQABWVATI-UHFFFAOYSA-N
MW360.69 g/mol
LogP6.12
Rot. Bonds8

About [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate

[tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 15838476) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID15838476
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name[tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCC(C)(C)[Si](C)(C)OCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14-16(19)21-23(9,10)18(4,5)6/h11-15H2,1-10H3
InChIKeyLZTDDPQABWVATI-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 15838476) is [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate is CC(C)(C)[Si](C)(C)OCCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is LZTDDPQABWVATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14-16(19)21-23(9,10)18(4,5)6/h11-15H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
[tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 360.69 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate is sourced from PubChem (CID 15838476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).