2-dimethylsilyl-3,3-dimethylbutanal

C8H18OSi — CID 173296563

IUPAC2-dimethylsilyl-3,3-dimethylbutanal
SMILESC[SiH](C)C(C=O)C(C)(C)C
InChIInChI=1S/C8H18OSi/c1-8(2,3)7(6-9)10(4)5/h6-7,10H,1-5H3
InChIKeyFKIDIJFVGRVBCA-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.09
Rot. Bonds2

About 2-dimethylsilyl-3,3-dimethylbutanal

2-dimethylsilyl-3,3-dimethylbutanal (PubChem CID 173296563) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 2-dimethylsilyl-3,3-dimethylbutanal.

Molecular Properties

Compound Name2-dimethylsilyl-3,3-dimethylbutanal
PubChem CID173296563
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name2-dimethylsilyl-3,3-dimethylbutanal
SMILESC[SiH](C)C(C=O)C(C)(C)C
InChIInChI=1S/C8H18OSi/c1-8(2,3)7(6-9)10(4)5/h6-7,10H,1-5H3
InChIKeyFKIDIJFVGRVBCA-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyl-3,3-dimethylbutanal?
The IUPAC name of 2-dimethylsilyl-3,3-dimethylbutanal (CID 173296563) is 2-dimethylsilyl-3,3-dimethylbutanal.
What is the SMILES notation for 2-dimethylsilyl-3,3-dimethylbutanal?
The canonical SMILES for 2-dimethylsilyl-3,3-dimethylbutanal is C[SiH](C)C(C=O)C(C)(C)C.
What is the InChIKey of 2-dimethylsilyl-3,3-dimethylbutanal?
The InChIKey is FKIDIJFVGRVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-8(2,3)7(6-9)10(4)5/h6-7,10H,1-5H3.
What are the key properties of 2-dimethylsilyl-3,3-dimethylbutanal?
2-dimethylsilyl-3,3-dimethylbutanal has a molecular weight of 158.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyl-3,3-dimethylbutanal is sourced from PubChem (CID 173296563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).