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

C17H32O6Si — CID 11530591

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)O
InChIInChI=1S/C17H32O6Si/c1-10-11-12(22-17(5,6)21-11)13(14(20-7)15(18)19)23-24(8,9)16(2,3)4/h10-14H,1H2,2-9H3,(H,18,19)/t11-,12+,13-,14-/m1/s1
InChIKeyXADNKAKJQJTNJN-XJFOESAGSA-N
MW360.52 g/mol
LogP3.18
Rot. Bonds7

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

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid (PubChem CID 11530591) has the molecular formula C17H32O6Si and a molecular weight of 360.52 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid
PubChem CID11530591
Molecular FormulaC17H32O6Si
Molecular Weight360.52 g/mol
Exact Mass360.20
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)O
InChIInChI=1S/C17H32O6Si/c1-10-11-12(22-17(5,6)21-11)13(14(20-7)15(18)19)23-24(8,9)16(2,3)4/h10-14H,1H2,2-9H3,(H,18,19)/t11-,12+,13-,14-/m1/s1
InChIKeyXADNKAKJQJTNJN-XJFOESAGSA-N
XLogP3.18
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
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 (2S,3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-6-prop-2-enoxyoxane-2-carboxylate
CID 21573090
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587269
[(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
(2R)-2-[(4R,5S)-5-[(E,1R)-1-acetyloxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
CID 10903630
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11012955
methyl (4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11256445
(2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid
CID 11557819
(2R)-2-[(4S,5R)-5-[(E,1R)-1-acetyloxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
CID 15038160
(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 71551018
(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
(2S,3R)-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxylic acid
CID 101136281

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid?
The IUPAC name of (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) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)O.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid?
The InChIKey is XADNKAKJQJTNJN-XJFOESAGSA-N. The full InChI is InChI=1S/C17H32O6Si/c1-10-11-12(22-17(5,6)21-11)13(14(20-7)15(18)19)23-24(8,9)16(2,3)4/h10-14H,1H2,2-9H3,(H,18,19)/t11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid has a molecular weight of 360.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid is sourced from PubChem (CID 11530591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).