3,3-dimethyl-2-methylsilylbutanal

C7H16OSi — CID 175152466

IUPAC3,3-dimethyl-2-methylsilylbutanal
SMILESC[SiH2]C(C=O)C(C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(2,3)6(5-8)9-4/h5-6H,9H2,1-4H3
InChIKeyAXZZQZQFXXRDAO-UHFFFAOYSA-N
MW144.29 g/mol
LogP1.24
Rot. Bonds2

About 3,3-dimethyl-2-methylsilylbutanal

3,3-dimethyl-2-methylsilylbutanal (PubChem CID 175152466) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylsilylbutanal.

Molecular Properties

Compound Name3,3-dimethyl-2-methylsilylbutanal
PubChem CID175152466
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name3,3-dimethyl-2-methylsilylbutanal
SMILESC[SiH2]C(C=O)C(C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(2,3)6(5-8)9-4/h5-6H,9H2,1-4H3
InChIKeyAXZZQZQFXXRDAO-UHFFFAOYSA-N
XLogP1.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 51.24
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 3,3-dimethyl-2-methylsilylbutanal?
The IUPAC name of 3,3-dimethyl-2-methylsilylbutanal (CID 175152466) is 3,3-dimethyl-2-methylsilylbutanal.
What is the SMILES notation for 3,3-dimethyl-2-methylsilylbutanal?
The canonical SMILES for 3,3-dimethyl-2-methylsilylbutanal is C[SiH2]C(C=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylsilylbutanal?
The InChIKey is AXZZQZQFXXRDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-7(2,3)6(5-8)9-4/h5-6H,9H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-methylsilylbutanal?
3,3-dimethyl-2-methylsilylbutanal has a molecular weight of 144.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylsilylbutanal is sourced from PubChem (CID 175152466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).