(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal

C21H40O5Si — CID 11957837

IUPAC(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal
SMILESC=C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CCC=O)OC
InChIInChI=1S/C21H40O5Si/c1-9-16(5)18(26-27(10-2,11-3)12-4)20-19(24-21(6,7)25-20)17(23-8)14-13-15-22/h9,15-20H,1,10-14H2,2-8H3/t16-,17-,18-,19-,20-/m1/s1
InChIKeyICRVDSUVPHSABA-LASHMREHSA-N
MW400.63 g/mol
LogP4.71
Rot. Bonds13

About (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal

(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal (PubChem CID 11957837) has the molecular formula C21H40O5Si and a molecular weight of 400.63 g/mol. Its IUPAC name is (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal.

Molecular Properties

Compound Name(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal
PubChem CID11957837
Molecular FormulaC21H40O5Si
Molecular Weight400.63 g/mol
Exact Mass400.26
IUPAC Name(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal
SMILESC=C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CCC=O)OC
InChIInChI=1S/C21H40O5Si/c1-9-16(5)18(26-27(10-2,11-3)12-4)20-19(24-21(6,7)25-20)17(23-8)14-13-15-22/h9,15-20H,1,10-14H2,2-8H3/t16-,17-,18-,19-,20-/m1/s1
InChIKeyICRVDSUVPHSABA-LASHMREHSA-N
XLogP4.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal 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,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal
CID 134838444
(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-4-ethenyloxolan-2-one
CID 10872353
(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one
CID 11077979
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-enal
CID 11101112
(6R)-6-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4S,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]heptan-3-one
CID 11215512
(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanal
CID 11246102

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal?
The IUPAC name of (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal (CID 11957837) is (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal.
What is the SMILES notation for (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal?
The canonical SMILES for (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal is C=C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CCC=O)OC.
What is the InChIKey of (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal?
The InChIKey is ICRVDSUVPHSABA-LASHMREHSA-N. The full InChI is InChI=1S/C21H40O5Si/c1-9-16(5)18(26-27(10-2,11-3)12-4)20-19(24-21(6,7)25-20)17(23-8)14-13-15-22/h9,15-20H,1,10-14H2,2-8H3/t16-,17-,18-,19-,20-/m1/s1.
What are the key properties of (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal?
(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal has a molecular weight of 400.63 g/mol, XLogP of 4.71, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal is sourced from PubChem (CID 11957837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).