(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal

C17H32O4Si — CID 11142048

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal
SMILESC=C([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H]1COC(CC)(CC)O1
InChIInChI=1S/C17H32O4Si/c1-9-17(10-2)19-12-15(20-17)13(3)14(11-18)21-22(7,8)16(4,5)6/h11,14-15H,3,9-10,12H2,1-2,4-8H3/t14-,15-/m1/s1
InChIKeyGRTOCPRADXOOPC-HUUCEWRRSA-N
MW328.53 g/mol
LogP4.06
Rot. Bonds7

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal (PubChem CID 11142048) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal
PubChem CID11142048
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal
SMILESC=C([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H]1COC(CC)(CC)O1
InChIInChI=1S/C17H32O4Si/c1-9-17(10-2)19-12-15(20-17)13(3)14(11-18)21-22(7,8)16(4,5)6/h11,14-15H,3,9-10,12H2,1-2,4-8H3/t14-,15-/m1/s1
InChIKeyGRTOCPRADXOOPC-HUUCEWRRSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal 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

[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-1-phenylsulfanylbut-3-enyl] acetate
CID 11730528
bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methanone;(4R)-4-[1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-diethyl-1,3-dioxolane
CID 158433915
8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-diethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
CID 10386422
tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane
CID 11046144
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 135665356
tert-butyl-dimethyl-(2-methylhex-1-en-3-yloxy)silane
CID 101446444
tert-butyl-(5-iodo-2-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 53392287
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 46933569
(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 15929605
[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 101143354
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 59226561

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal (CID 11142048) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal is C=C([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H]1COC(CC)(CC)O1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal?
The InChIKey is GRTOCPRADXOOPC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-9-17(10-2)19-12-15(20-17)13(3)14(11-18)21-22(7,8)16(4,5)6/h11,14-15H,3,9-10,12H2,1-2,4-8H3/t14-,15-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal has a molecular weight of 328.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal is sourced from PubChem (CID 11142048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).