4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal

C10H22O3Si — CID 141472188

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C=O
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-7-6-9(12)8-11/h8-9,12H,6-7H2,1-5H3
InChIKeyOSUOJVMQGYXJOR-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.96
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal

4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal (PubChem CID 141472188) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal
PubChem CID141472188
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C=O
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-7-6-9(12)8-11/h8-9,12H,6-7H2,1-5H3
InChIKeyOSUOJVMQGYXJOR-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.96
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'}

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Related Compounds

(-)-(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 10633359
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal
CID 164666994
(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 3481460
(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
CID 87864203
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
CID 144859906
3-[Tert-butyl(dimethyl)silyl]-2-hydroxypropanal
CID 166071460
2-[Tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
CID 173584299
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 124629464

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal (CID 141472188) is 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal is CC(C)(C)[Si](C)(C)OCCC(O)C=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal?
The InChIKey is OSUOJVMQGYXJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-7-6-9(12)8-11/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal?
4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal has a molecular weight of 218.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal is sourced from PubChem (CID 141472188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).