(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid

C16H30O5Si — CID 11012955

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-9-11-14(20-16(5,6)19-11)12(10-13(17)18)21-22(7,8)15(2,3)4/h9,11-12,14H,1,10H2,2-8H3,(H,17,18)/t11-,12-,14+/m1/s1
InChIKeyANNCGTHLQQFGBG-BZPMIXESSA-N
MW330.50 g/mol
LogP3.56
Rot. Bonds6

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 11012955) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
PubChem CID11012955
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-9-11-14(20-16(5,6)19-11)12(10-13(17)18)21-22(7,8)15(2,3)4/h9,11-12,14H,1,10H2,2-8H3,(H,17,18)/t11-,12-,14+/m1/s1
InChIKeyANNCGTHLQQFGBG-BZPMIXESSA-N
XLogP3.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Ctk1C7303
CID 11435582
[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(3R)-3-prop-2-enoyloxybutanoyl]oxyhexanoate
CID 135027951
[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
CID 135028262
(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
CID 139260455
3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11788879
3-(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 72960831
Tert-butyl 2-[acetyloxy-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
CID 69670018
3-[(4R,5R)-5-[(E,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undec-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11443744
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid
CID 11530591
methyl (3S)-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoate
CID 12153991
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid
CID 101036385
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)hept-6-enoic acid
CID 101109245

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (CID 11012955) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is ANNCGTHLQQFGBG-BZPMIXESSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-9-11-14(20-16(5,6)19-11)12(10-13(17)18)21-22(7,8)15(2,3)4/h9,11-12,14H,1,10H2,2-8H3,(H,17,18)/t11-,12-,14+/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 330.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 11012955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).