(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal

C12H26O3Si — CID 11311180

IUPAC(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](O[C@H](C=O)CO)(C(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-12(7-13)8-14/h7,9-12,14H,8H2,1-6H3/t12-/m1/s1
InChIKeyDNTKKHDDUWJFEK-GFCCVEGCSA-N
MW246.42 g/mol
LogP2.74
Rot. Bonds7

About (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal

(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal (PubChem CID 11311180) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal
PubChem CID11311180
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](O[C@H](C=O)CO)(C(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-12(7-13)8-14/h7,9-12,14H,8H2,1-6H3/t12-/m1/s1
InChIKeyDNTKKHDDUWJFEK-GFCCVEGCSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.74
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,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one
CID 11807903
Tms-glyceraldehyde
CID 129724295
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
CID 87864203
Acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 90983917
3-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal
CID 91569808
3-Tert-butylsilyloxy-2-hydroxypropanal
CID 123815494
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
2,3-Dihydroxy-1-trimethoxysilylpropan-1-one;hydrate
CID 141042064
3,4-Dihydroxy-1-triethoxysilylbutan-2-one;hydrate
CID 141292776
2,3-Dihydroxy-1-triethoxysilylpropan-1-one
CID 141376175
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol
CID 162209214

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal?
The IUPAC name of (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal (CID 11311180) is (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal.
What is the SMILES notation for (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal?
The canonical SMILES for (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal is CC(C)[Si](O[C@H](C=O)CO)(C(C)C)C(C)C.
What is the InChIKey of (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal?
The InChIKey is DNTKKHDDUWJFEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-12(7-13)8-14/h7,9-12,14H,8H2,1-6H3/t12-/m1/s1.
What are the key properties of (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal?
(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal has a molecular weight of 246.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal is sourced from PubChem (CID 11311180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).