acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol

C12H28O3Si — CID 90983917

IUPACacetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
SMILESCC(O)C(C)O[Si](C)(C)C(C)(C)C.CC=O
InChIInChI=1S/C10H24O2Si.C2H4O/c1-8(11)9(2)12-13(6,7)10(3,4)5;1-2-3/h8-9,11H,1-7H3;2H,1H3
InChIKeyCNBNGQQGMLBBOS-UHFFFAOYSA-N
MW248.44 g/mol
LogP2.98
Rot. Bonds3

About acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol

acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol (PubChem CID 90983917) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol.

Molecular Properties

Compound Nameacetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
PubChem CID90983917
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Nameacetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
SMILESCC(O)C(C)O[Si](C)(C)C(C)(C)C.CC=O
InChIInChI=1S/C10H24O2Si.C2H4O/c1-8(11)9(2)12-13(6,7)10(3,4)5;1-2-3/h8-9,11H,1-7H3;2H,1H3
InChIKeyCNBNGQQGMLBBOS-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((Tert-butyldimethylsilyl)oxy)propan-2-ol
CID 13175134
(2R)-1-{[(1,1-Dimethylethyl)(dimethyl)silyl]oxy}propan-2-ol
CID 13175135
(S)-1-((Tert-butyldimethylsilyl)oxy)propan-2-OL
CID 13175136
2-([tert-Butyl(dimethyl)silyl]oxy)propan-1-ol
CID 15688070
(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
(2R)-3-{[tert-Butyl(dimethyl)silyl]oxy}propane-1,2-diol
CID 13552567
(S)-2-(tert-Butyl-dimethyl-silanyloxy)-propan-1-ol
CID 15688069
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 58012744
(2S)-3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol
CID 100997878
1,3-Propanediol, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11481169
(R)-2-(tert-Butyl-dimethyl-silanyloxy)-propan-1-ol
CID 122402996
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 10965634

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The IUPAC name of acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol (CID 90983917) is acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol.
What is the SMILES notation for acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The canonical SMILES for acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol is CC(O)C(C)O[Si](C)(C)C(C)(C)C.CC=O.
What is the InChIKey of acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The InChIKey is CNBNGQQGMLBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O2Si.C2H4O/c1-8(11)9(2)12-13(6,7)10(3,4)5;1-2-3/h8-9,11H,1-7H3;2H,1H3.
What are the key properties of acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol has a molecular weight of 248.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol is sourced from PubChem (CID 90983917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).