(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal

C15H34O4Si2 — CID 11739147

IUPAC(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-15(2,3)21(7,8)19-12-14(11-16)18-13-17-9-10-20(4,5)6/h11,14H,9-10,12-13H2,1-8H3/t14-/m0/s1
InChIKeyIPLFXOFOXIMTQN-AWEZNQCLSA-N
MW334.61 g/mol
LogP3.90
Rot. Bonds10

About (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal

(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal (PubChem CID 11739147) has the molecular formula C15H34O4Si2 and a molecular weight of 334.61 g/mol. Its IUPAC name is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal.

Molecular Properties

Compound Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal
PubChem CID11739147
Molecular FormulaC15H34O4Si2
Molecular Weight334.61 g/mol
Exact Mass334.20
IUPAC Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-15(2,3)21(7,8)19-12-14(11-16)18-13-17-9-10-20(4,5)6/h11,14H,9-10,12-13H2,1-8H3/t14-/m0/s1
InChIKeyIPLFXOFOXIMTQN-AWEZNQCLSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal?
The IUPAC name of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal (CID 11739147) is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal.
What is the SMILES notation for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal?
The canonical SMILES for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal is CC(C)(C)[Si](C)(C)OC[C@H](C=O)OCOCC[Si](C)(C)C.
What is the InChIKey of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal?
The InChIKey is IPLFXOFOXIMTQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H34O4Si2/c1-15(2,3)21(7,8)19-12-14(11-16)18-13-17-9-10-20(4,5)6/h11,14H,9-10,12-13H2,1-8H3/t14-/m0/s1.
What are the key properties of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal?
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal has a molecular weight of 334.61 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)propanal is sourced from PubChem (CID 11739147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).