(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal

C20H36O6Si — CID 11112155

IUPAC(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](/C(=C\C=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H36O6Si/c1-18(2,3)27(8,9)23-12-14(10-11-21)16-17(26-20(6,7)25-16)15-13-22-19(4,5)24-15/h10-11,15-17H,12-13H2,1-9H3/b14-10-/t15-,16-,17-/m1/s1
InChIKeyATYYULLDHRXJHS-KAWDRADOSA-N
MW400.59 g/mol
LogP3.81
Rot. Bonds6

About (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal (PubChem CID 11112155) has the molecular formula C20H36O6Si and a molecular weight of 400.59 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
PubChem CID11112155
Molecular FormulaC20H36O6Si
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](/C(=C\C=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H36O6Si/c1-18(2,3)27(8,9)23-12-14(10-11-21)16-17(26-20(6,7)25-16)15-13-22-19(4,5)24-15/h10-11,15-17H,12-13H2,1-9H3/b14-10-/t15-,16-,17-/m1/s1
InChIKeyATYYULLDHRXJHS-KAWDRADOSA-N
XLogP3.81
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-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

(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012466
(2S)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012467
methyl (E)-3-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 135067287
ethyl (E)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]prop-2-enoate
CID 178184630
[(3aR,6S,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] acetate
CID 10642029
[(1R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
CID 10318253
[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
CID 10362991
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one
CID 10496540
ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
CID 10499560
3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one
CID 10592403
ethyl (Z)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 11026117
(Z)-5-[(4R,5S)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethyl)pent-2-enal
CID 11026923

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal?
The IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal (CID 11112155) is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal.
What is the SMILES notation for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal?
The canonical SMILES for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal is CC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](/C(=C\C=O)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal?
The InChIKey is ATYYULLDHRXJHS-KAWDRADOSA-N. The full InChI is InChI=1S/C20H36O6Si/c1-18(2,3)27(8,9)23-12-14(10-11-21)16-17(26-20(6,7)25-16)15-13-22-19(4,5)24-15/h10-11,15-17H,12-13H2,1-9H3/b14-10-/t15-,16-,17-/m1/s1.
What are the key properties of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal?
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal has a molecular weight of 400.59 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal is sourced from PubChem (CID 11112155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).