[5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate

C30H64O6Si2 — CID 14608677

IUPAC[5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate
SMILESCOC(CC(C)COC(=O)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CC(C)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C30H64O6Si2/c1-22(20-34-27(31)28(3,4)5)18-24(32-12)26(36-38(16,17)30(9,10)11)25(33-13)19-23(2)21-35-37(14,15)29(6,7)8/h22-26H,18-21H2,1-17H3
InChIKeyCKSKQNJKKTVSNQ-UHFFFAOYSA-N
MW577.01 g/mol
LogP8.07
Rot. Bonds15

About [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate

[5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate (PubChem CID 14608677) has the molecular formula C30H64O6Si2 and a molecular weight of 577.01 g/mol. Its IUPAC name is [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate
PubChem CID14608677
Molecular FormulaC30H64O6Si2
Molecular Weight577.01 g/mol
Exact Mass576.42
IUPAC Name[5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate
SMILESCOC(CC(C)COC(=O)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CC(C)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C30H64O6Si2/c1-22(20-34-27(31)28(3,4)5)18-24(32-12)26(36-38(16,17)30(9,10)11)25(33-13)19-23(2)21-35-37(14,15)29(6,7)8/h22-26H,18-21H2,1-17H3
InChIKeyCKSKQNJKKTVSNQ-UHFFFAOYSA-N
XLogP8.07
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.01
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate?
The IUPAC name of [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate (CID 14608677) is [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate?
The canonical SMILES for [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate is COC(CC(C)COC(=O)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CC(C)CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate?
The InChIKey is CKSKQNJKKTVSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O6Si2/c1-22(20-34-27(31)28(3,4)5)18-24(32-12)26(36-38(16,17)30(9,10)11)25(33-13)19-23(2)21-35-37(14,15)29(6,7)8/h22-26H,18-21H2,1-17H3.
What are the key properties of [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate?
[5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate has a molecular weight of 577.01 g/mol, XLogP of 8.07, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 14608677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).