2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal

C21H46O6Si2 — CID 11744506

IUPAC2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal
SMILESCOCCOCOCC(C=O)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O6Si2/c1-19(2,3)28(8,9)26-16-21(14-22,15-25-18-24-13-12-23-7)17-27-29(10,11)20(4,5)6/h14H,12-13,15-18H2,1-11H3
InChIKeyQRQHOGVSIBXPTM-UHFFFAOYSA-N
MW450.77 g/mol
LogP4.85
Rot. Bonds14

About 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal

2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal (PubChem CID 11744506) has the molecular formula C21H46O6Si2 and a molecular weight of 450.77 g/mol. Its IUPAC name is 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal.

Molecular Properties

Compound Name2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal
PubChem CID11744506
Molecular FormulaC21H46O6Si2
Molecular Weight450.77 g/mol
Exact Mass450.28
IUPAC Name2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal
SMILESCOCCOCOCC(C=O)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O6Si2/c1-19(2,3)28(8,9)26-16-21(14-22,15-25-18-24-13-12-23-7)17-27-29(10,11)20(4,5)6/h14H,12-13,15-18H2,1-11H3
InChIKeyQRQHOGVSIBXPTM-UHFFFAOYSA-N
XLogP4.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.77
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal?
The IUPAC name of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal (CID 11744506) is 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal.
What is the SMILES notation for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal?
The canonical SMILES for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal is COCCOCOCC(C=O)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal?
The InChIKey is QRQHOGVSIBXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O6Si2/c1-19(2,3)28(8,9)26-16-21(14-22,15-25-18-24-13-12-23-7)17-27-29(10,11)20(4,5)6/h14H,12-13,15-18H2,1-11H3.
What are the key properties of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal?
2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal has a molecular weight of 450.77 g/mol, XLogP of 4.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxyethoxymethoxy)propanal is sourced from PubChem (CID 11744506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).