3-[dimethyl(2-methylpropyl)silyl]oxypropanal

C9H20O2Si — CID 57165386

IUPAC3-[dimethyl(2-methylpropyl)silyl]oxypropanal
SMILESCC(C)C[Si](C)(C)OCCC=O
InChIInChI=1S/C9H20O2Si/c1-9(2)8-12(3,4)11-7-5-6-10/h6,9H,5,7-8H2,1-4H3
InChIKeyRSGDUQADEMAQGS-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.45
Rot. Bonds6

About 3-[dimethyl(2-methylpropyl)silyl]oxypropanal

3-[dimethyl(2-methylpropyl)silyl]oxypropanal (PubChem CID 57165386) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[dimethyl(2-methylpropyl)silyl]oxypropanal.

Molecular Properties

Compound Name3-[dimethyl(2-methylpropyl)silyl]oxypropanal
PubChem CID57165386
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-[dimethyl(2-methylpropyl)silyl]oxypropanal
SMILESCC(C)C[Si](C)(C)OCCC=O
InChIInChI=1S/C9H20O2Si/c1-9(2)8-12(3,4)11-7-5-6-10/h6,9H,5,7-8H2,1-4H3
InChIKeyRSGDUQADEMAQGS-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

3-[2-(3-methylbutoxy)ethoxy]propanal
CID 122463238
3-(2-propan-2-yloxyethoxy)propanal
CID 63040405
3-oxopropyl 2-hydroxypropanoate
CID 154189080
22-methyltricosanal
CID 86049143
12-methyltridecanal
CID 146297718
1-[dimethyl(2-methylpropyl)silyl]oxyethanamine
CID 154270233
alumane;6-methylheptanal
CID 174999973
18-methylnonadecanal
CID 22123977
3-methoxypropanal;titanium
CID 87154259
methane;4-methylpentanal
CID 87157049
methane;12-methyltridecanal
CID 175307429
2-methyl-3-trimethylsilyloxypropanal
CID 75300382

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(2-methylpropyl)silyl]oxypropanal?
The IUPAC name of 3-[dimethyl(2-methylpropyl)silyl]oxypropanal (CID 57165386) is 3-[dimethyl(2-methylpropyl)silyl]oxypropanal.
What is the SMILES notation for 3-[dimethyl(2-methylpropyl)silyl]oxypropanal?
The canonical SMILES for 3-[dimethyl(2-methylpropyl)silyl]oxypropanal is CC(C)C[Si](C)(C)OCCC=O.
What is the InChIKey of 3-[dimethyl(2-methylpropyl)silyl]oxypropanal?
The InChIKey is RSGDUQADEMAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-9(2)8-12(3,4)11-7-5-6-10/h6,9H,5,7-8H2,1-4H3.
What are the key properties of 3-[dimethyl(2-methylpropyl)silyl]oxypropanal?
3-[dimethyl(2-methylpropyl)silyl]oxypropanal has a molecular weight of 188.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(2-methylpropyl)silyl]oxypropanal is sourced from PubChem (CID 57165386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).