(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal

C14H30O4Si — CID 134860973

IUPAC(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal
SMILESCC(C)(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C=O
InChIInChI=1S/C14H30O4Si/c1-13(2,3)18-12(11(16)9-15)10-17-19(7,8)14(4,5)6/h9,11-12,16H,10H2,1-8H3/t11-,12-/m0/s1
InChIKeyBWOVMGPGKUCYNQ-RYUDHWBXSA-N
MW290.48 g/mol
LogP2.75
Rot. Bonds6

About (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal

(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal (PubChem CID 134860973) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal.

Molecular Properties

Compound Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal
PubChem CID134860973
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal
SMILESCC(C)(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C=O
InChIInChI=1S/C14H30O4Si/c1-13(2,3)18-12(11(16)9-15)10-17-19(7,8)14(4,5)6/h9,11-12,16H,10H2,1-8H3/t11-,12-/m0/s1
InChIKeyBWOVMGPGKUCYNQ-RYUDHWBXSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal
CID 135006937
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 135068104
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24741475
ethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 58012722
ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 58012759
(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
CID 87864203
ethyl (3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 91163027
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 91485174
1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate
CID 139675907
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal?
The IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal (CID 134860973) is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal.
What is the SMILES notation for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal?
The canonical SMILES for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal is CC(C)(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C=O.
What is the InChIKey of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal?
The InChIKey is BWOVMGPGKUCYNQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-13(2,3)18-12(11(16)9-15)10-17-19(7,8)14(4,5)6/h9,11-12,16H,10H2,1-8H3/t11-,12-/m0/s1.
What are the key properties of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal?
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal has a molecular weight of 290.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal is sourced from PubChem (CID 134860973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).