(2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal

C23H50O3Si2 — CID 15431301

IUPAC(2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal
SMILESCC(C=O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H50O3Si2/c1-16(2)27(17(3)4,18(5)6)25-15-23(22(13)14-24)26-28(19(7)8,20(9)10)21(11)12/h14,16-23H,15H2,1-13H3/t22?,23-/m1/s1
InChIKeyKFYOARXVYZVPIS-OZAIVSQSSA-N
MW430.82 g/mol
LogP7.57
Rot. Bonds13

About (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal

(2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal (PubChem CID 15431301) has the molecular formula C23H50O3Si2 and a molecular weight of 430.82 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal
PubChem CID15431301
Molecular FormulaC23H50O3Si2
Molecular Weight430.82 g/mol
Exact Mass430.33
IUPAC Name(2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal
SMILESCC(C=O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H50O3Si2/c1-16(2)27(17(3)4,18(5)6)25-15-23(22(13)14-24)26-28(19(7)8,20(9)10)21(11)12/h14,16-23H,15H2,1-13H3/t22?,23-/m1/s1
InChIKeyKFYOARXVYZVPIS-OZAIVSQSSA-N
XLogP7.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal 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

(2R,3R)-2-methyl-3-triethylsilyloxybutanal
CID 11206709
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxypentanal
CID 11336946
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal
CID 11448296
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
CID 11746053
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
CID 13523905
(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 101425651
(3R)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
CID 134878763
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
CID 135014418
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980521
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 139249865
3-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylbutanal
CID 13523903

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal?
The IUPAC name of (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal (CID 15431301) is (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal.
What is the SMILES notation for (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal?
The canonical SMILES for (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal is CC(C=O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal?
The InChIKey is KFYOARXVYZVPIS-OZAIVSQSSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-16(2)27(17(3)4,18(5)6)25-15-23(22(13)14-24)26-28(19(7)8,20(9)10)21(11)12/h14,16-23H,15H2,1-13H3/t22?,23-/m1/s1.
What are the key properties of (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal?
(2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal has a molecular weight of 430.82 g/mol, XLogP of 7.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal is sourced from PubChem (CID 15431301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).