[(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

C20H36O5Si — CID 11222860

IUPAC[(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
SMILESC=CC[C@@H](OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O5Si/c1-11-13-16(22-14(3)21)18-17(23-20(7,8)24-18)15(12-2)25-26(9,10)19(4,5)6/h11-12,15-18H,1-2,13H2,3-10H3/t15-,16-,17+,18-/m1/s1
InChIKeyRKEFTZHFHUHSCG-ZJPYXAASSA-N
MW384.59 g/mol
LogP4.59
Rot. Bonds8

About [(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

[(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 (PubChem CID 11222860) has the molecular formula C20H36O5Si and a molecular weight of 384.59 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID11222860
Molecular FormulaC20H36O5Si
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC Name[(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
SMILESC=CC[C@@H](OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O5Si/c1-11-13-16(22-14(3)21)18-17(23-20(7,8)24-18)15(12-2)25-26(9,10)19(4,5)6/h11-12,15-18H,1-2,13H2,3-10H3/t15-,16-,17+,18-/m1/s1
InChIKeyRKEFTZHFHUHSCG-ZJPYXAASSA-N
XLogP4.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.59
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'}

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Related Compounds

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
[(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octyl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72708010
[(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 135000837
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 135022818
tert-butyl-dimethyl-[(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-yl]oxysilane
CID 135039837
3-[(2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 178184688
1-[(4R,5R)-5-but-1-en-2-yl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 161509453
1-[(4R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 161509454
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 10357472
(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10593438

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=CC[C@@H](OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(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?
The InChIKey is RKEFTZHFHUHSCG-ZJPYXAASSA-N. The full InChI is InChI=1S/C20H36O5Si/c1-11-13-16(22-14(3)21)18-17(23-20(7,8)24-18)15(12-2)25-26(9,10)19(4,5)6/h11-12,15-18H,1-2,13H2,3-10H3/t15-,16-,17+,18-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 384.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 11222860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).