(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

C16H30O5Si — CID 71551018

IUPAC(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESC=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C(=O)O
InChIInChI=1S/C16H30O5Si/c1-10(2)11(21-22(8,9)15(3,4)5)12-13(14(17)18)20-16(6,7)19-12/h11-13H,1H2,2-9H3,(H,17,18)/t11-,12-,13+/m1/s1
InChIKeyLMYAFZTUGUZQOM-UPJWGTAASA-N
MW330.50 g/mol
LogP3.56
Rot. Bonds5

About (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 71551018) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
PubChem CID71551018
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESC=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C(=O)O
InChIInChI=1S/C16H30O5Si/c1-10(2)11(21-22(8,9)15(3,4)5)12-13(14(17)18)20-16(6,7)19-12/h11-13H,1H2,2-9H3,(H,17,18)/t11-,12-,13+/m1/s1
InChIKeyLMYAFZTUGUZQOM-UPJWGTAASA-N
XLogP3.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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'}

Analyze (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid 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

methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587269
(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid
CID 89102179
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-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid
CID 11530591

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of (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) is (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C(=O)O.
What is the InChIKey of (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is LMYAFZTUGUZQOM-UPJWGTAASA-N. The full InChI is InChI=1S/C16H30O5Si/c1-10(2)11(21-22(8,9)15(3,4)5)12-13(14(17)18)20-16(6,7)19-12/h11-13H,1H2,2-9H3,(H,17,18)/t11-,12-,13+/m1/s1.
What are the key properties of (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 330.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 71551018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).