2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene

C17H30O2Si — CID 87761796

IUPAC2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene
SMILESCCC(C=O)O[Si](C)(C)C(C)(C)C.Cc1ccccc1
InChIInChI=1S/C10H22O2Si.C7H8/c1-7-9(8-11)12-13(5,6)10(2,3)4;1-7-5-3-2-4-6-7/h8-9H,7H2,1-6H3;2-6H,1H3
InChIKeyVHYRTNAOQIEYPX-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.98
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene

2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene (PubChem CID 87761796) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene
PubChem CID87761796
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene
SMILESCCC(C=O)O[Si](C)(C)C(C)(C)C.Cc1ccccc1
InChIInChI=1S/C10H22O2Si.C7H8/c1-7-9(8-11)12-13(5,6)10(2,3)4;1-7-5-3-2-4-6-7/h8-9H,7H2,1-6H3;2-6H,1H3
InChIKeyVHYRTNAOQIEYPX-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal
CID 10980092
Benzylmethyldiethoxysilane
CID 15935076
Nnpuiqscprgllk-cqszacivsa-
CID 10955923
(S)-2-(tert-Butyldiphenylsilanyloxy)propionaldehyde
CID 10828944
2-(Tert-butyldiphenylsilyloxy)propan-1-one
CID 11404194
diethoxy-methyl-[(E)-2-phenylethenyl]silane
CID 11806649
Dimethyl-(2-methylphenyl)-propan-2-yloxysilane
CID 13698657
2-(Tert-butyldimethylsilyloxy)-4-phenylbutanal
CID 13723212
triethoxy-[(E)-4-phenylbut-3-en-2-yl]silane
CID 13761271
Ethenyl(triethoxy)silane;styrene
CID 23372435
(Methyl)(phenylethenyl)diethoxysilane
CID 67311697
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal
CID 71584616

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene (CID 87761796) is 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene is CCC(C=O)O[Si](C)(C)C(C)(C)C.Cc1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene?
The InChIKey is VHYRTNAOQIEYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si.C7H8/c1-7-9(8-11)12-13(5,6)10(2,3)4;1-7-5-3-2-4-6-7/h8-9H,7H2,1-6H3;2-6H,1H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene?
2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene has a molecular weight of 294.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxybutanal;toluene is sourced from PubChem (CID 87761796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).