[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate

C23H44O5Si — CID 11453140

IUPAC[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)O[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C23H44O5Si/c1-13-18(28-29(15(2)3,16(4)5)17(6)7)20-19(26-23(11,12)27-20)14-25-21(24)22(8,9)10/h13,15-20H,1,14H2,2-12H3/t18-,19+,20-/m0/s1
InChIKeyABIKVSVAUOMKJA-ZCNNSNEGSA-N
MW428.69 g/mol
LogP5.84
Rot. Bonds9

About [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate

[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate (PubChem CID 11453140) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
PubChem CID11453140
Molecular FormulaC23H44O5Si
Molecular Weight428.69 g/mol
Exact Mass428.30
IUPAC Name[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)O[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C23H44O5Si/c1-13-18(28-29(15(2)3,16(4)5)17(6)7)20-19(26-23(11,12)27-20)14-25-21(24)22(8,9)10/h13,15-20H,1,14H2,2-12H3/t18-,19+,20-/m0/s1
InChIKeyABIKVSVAUOMKJA-ZCNNSNEGSA-N
XLogP5.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

[4-methoxy-4-[(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-yl]oxybutyl] 2,2-dimethylpropanoate
CID 393378
methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate
CID 46180491
1-[2-(Tert-butyldimethylsilanyloxy)ethyl]-2-(2-methoxyethoxymethoxy)but-3-enylester
CID 46894691
[4-[1-Ethyl-2-(2-trimethylsilylethoxymethoxy)but-3-enoxy]-4-methoxy-butyl] 2,2-dimethylpropanoate
CID 496613
3-[1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-(2,2-dimethylpropanoyloxy)but-3-enoxy]propyl 2,2-dimethylpropanoate
CID 150249565
3-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2,2-dimethylpropanoyloxy)but-3-enoxy]propyl 2,2-dimethylpropanoate
CID 164805927
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
CID 10785649
[(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] acetate
CID 11222860
ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate
CID 11417867
[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-yl] acetate
CID 11418122
[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl] 2,2-dimethylpropanoate
CID 11495330
[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropyl] 2,2-dimethylpropanoate
CID 11690528

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate (CID 11453140) is [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate is C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)O[C@@H]1COC(=O)C(C)(C)C.
What is the InChIKey of [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is ABIKVSVAUOMKJA-ZCNNSNEGSA-N. The full InChI is InChI=1S/C23H44O5Si/c1-13-18(28-29(15(2)3,16(4)5)17(6)7)20-19(26-23(11,12)27-20)14-25-21(24)22(8,9)10/h13,15-20H,1,14H2,2-12H3/t18-,19+,20-/m0/s1.
What are the key properties of [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 428.69 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11453140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).