dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate

C19H36O8Si — CID 155932020

IUPACdimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCC[Si](CC)(CC)OC(C)CC[C@@]1(C(=O)OC)OC(C)(C)OC1(O)C(=O)OC
InChIInChI=1S/C19H36O8Si/c1-9-28(10-2,11-3)25-14(4)12-13-18(15(20)23-7)19(22,16(21)24-8)27-17(5,6)26-18/h14,22H,9-13H2,1-8H3/t14?,18-,19?/m0/s1
InChIKeyHZLQECHXPAQDCC-WHDUELSGSA-N
MW420.58 g/mol
LogP2.73
Rot. Bonds10

About dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate

dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 155932020) has the molecular formula C19H36O8Si and a molecular weight of 420.58 g/mol. Its IUPAC name is dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID155932020
Molecular FormulaC19H36O8Si
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC Namedimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCC[Si](CC)(CC)OC(C)CC[C@@]1(C(=O)OC)OC(C)(C)OC1(O)C(=O)OC
InChIInChI=1S/C19H36O8Si/c1-9-28(10-2,11-3)25-14(4)12-13-18(15(20)23-7)19(22,16(21)24-8)27-17(5,6)26-18/h14,22H,9-13H2,1-8H3/t14?,18-,19?/m0/s1
InChIKeyHZLQECHXPAQDCC-WHDUELSGSA-N
XLogP2.73
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
methyl (2R,3S,4S,5R)-3-butan-2-yloxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 135012656
dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
CID 135020847
methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
CID 139038790
Trimethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(2-hydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-1,2,7-tricarboxylate
CID 155931201
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
trimethyl (1S,2R,5R,7S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(2-hydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-1,2,7-tricarboxylate
CID 168305638
ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate
CID 10549228
[(3S,4S,5R)-2,3-diacetyl-2-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 20765489
(2R)-2-[(3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]-2-methoxyacetic acid
CID 57792753

Frequently Asked Questions

What is the IUPAC name of dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate (CID 155932020) is dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate is CC[Si](CC)(CC)OC(C)CC[C@@]1(C(=O)OC)OC(C)(C)OC1(O)C(=O)OC.
What is the InChIKey of dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is HZLQECHXPAQDCC-WHDUELSGSA-N. The full InChI is InChI=1S/C19H36O8Si/c1-9-28(10-2,11-3)25-14(4)12-13-18(15(20)23-7)19(22,16(21)24-8)27-17(5,6)26-18/h14,22H,9-13H2,1-8H3/t14?,18-,19?/m0/s1.
What are the key properties of dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 420.58 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 155932020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).