(2S)-2-(2-trimethylsilylethoxymethoxy)propanal

C9H20O3Si — CID 143687765

IUPAC(2S)-2-(2-trimethylsilylethoxymethoxy)propanal
SMILESC[C@@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-9(7-10)12-8-11-5-6-13(2,3)4/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyNCOFZDMHSLVAPS-VIFPVBQESA-N
MW204.34 g/mol
LogP1.90
Rot. Bonds7

About (2S)-2-(2-trimethylsilylethoxymethoxy)propanal

(2S)-2-(2-trimethylsilylethoxymethoxy)propanal (PubChem CID 143687765) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is (2S)-2-(2-trimethylsilylethoxymethoxy)propanal.

Molecular Properties

Compound Name(2S)-2-(2-trimethylsilylethoxymethoxy)propanal
PubChem CID143687765
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name(2S)-2-(2-trimethylsilylethoxymethoxy)propanal
SMILESC[C@@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-9(7-10)12-8-11-5-6-13(2,3)4/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyNCOFZDMHSLVAPS-VIFPVBQESA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2S)-2-(2-trimethylsilylethoxymethoxy)propanal?
The IUPAC name of (2S)-2-(2-trimethylsilylethoxymethoxy)propanal (CID 143687765) is (2S)-2-(2-trimethylsilylethoxymethoxy)propanal.
What is the SMILES notation for (2S)-2-(2-trimethylsilylethoxymethoxy)propanal?
The canonical SMILES for (2S)-2-(2-trimethylsilylethoxymethoxy)propanal is C[C@@H](C=O)OCOCC[Si](C)(C)C.
What is the InChIKey of (2S)-2-(2-trimethylsilylethoxymethoxy)propanal?
The InChIKey is NCOFZDMHSLVAPS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20O3Si/c1-9(7-10)12-8-11-5-6-13(2,3)4/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-trimethylsilylethoxymethoxy)propanal?
(2S)-2-(2-trimethylsilylethoxymethoxy)propanal has a molecular weight of 204.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-trimethylsilylethoxymethoxy)propanal is sourced from PubChem (CID 143687765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).