(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal

C13H28O3Si — CID 134963669

IUPAC(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal
SMILESCO[C@@H](CC=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(12(15-5)8-9-14)10-16-17(6,7)13(2,3)4/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyQEYFFVIGTPFQLK-RYUDHWBXSA-N
MW260.45 g/mol
LogP3.25
Rot. Bonds7

About (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal

(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal (PubChem CID 134963669) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal.

Molecular Properties

Compound Name(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal
PubChem CID134963669
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal
SMILESCO[C@@H](CC=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(12(15-5)8-9-14)10-16-17(6,7)13(2,3)4/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyQEYFFVIGTPFQLK-RYUDHWBXSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.25
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 (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal 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,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 10911390
(2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11118283
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 13596694
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
CID 10861695
(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11436161
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 10037486
(2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial
CID 10491464
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal
CID 10900883
(2S)-2-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]propanal
CID 10913151
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal
CID 10966326

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal?
The IUPAC name of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal (CID 134963669) is (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal.
What is the SMILES notation for (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal?
The canonical SMILES for (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal is CO[C@@H](CC=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal?
The InChIKey is QEYFFVIGTPFQLK-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-11(12(15-5)8-9-14)10-16-17(6,7)13(2,3)4/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal?
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal has a molecular weight of 260.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal is sourced from PubChem (CID 134963669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).