2,2-dimethyl-3-silylbutanal

C6H14OSi — CID 174386989

IUPAC2,2-dimethyl-3-silylbutanal
SMILESCC([SiH3])C(C)(C)C=O
InChIInChI=1S/C6H14OSi/c1-5(8)6(2,3)4-7/h4-5H,1-3,8H3
InChIKeyYXEGSFBEPRJNFF-UHFFFAOYSA-N
MW130.26 g/mol
LogP0.39
Rot. Bonds2

About 2,2-dimethyl-3-silylbutanal

2,2-dimethyl-3-silylbutanal (PubChem CID 174386989) has the molecular formula C6H14OSi and a molecular weight of 130.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-silylbutanal.

Molecular Properties

Compound Name2,2-dimethyl-3-silylbutanal
PubChem CID174386989
Molecular FormulaC6H14OSi
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2,2-dimethyl-3-silylbutanal
SMILESCC([SiH3])C(C)(C)C=O
InChIInChI=1S/C6H14OSi/c1-5(8)6(2,3)4-7/h4-5H,1-3,8H3
InChIKeyYXEGSFBEPRJNFF-UHFFFAOYSA-N
XLogP0.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 50.39
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 2,2-dimethyl-3-silylbutanal?
The IUPAC name of 2,2-dimethyl-3-silylbutanal (CID 174386989) is 2,2-dimethyl-3-silylbutanal.
What is the SMILES notation for 2,2-dimethyl-3-silylbutanal?
The canonical SMILES for 2,2-dimethyl-3-silylbutanal is CC([SiH3])C(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-silylbutanal?
The InChIKey is YXEGSFBEPRJNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OSi/c1-5(8)6(2,3)4-7/h4-5H,1-3,8H3.
What are the key properties of 2,2-dimethyl-3-silylbutanal?
2,2-dimethyl-3-silylbutanal has a molecular weight of 130.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-silylbutanal is sourced from PubChem (CID 174386989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).