(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid

C31H44O6Si — CID 102183390

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid
SMILESCC1(C)OC[C@@H](C[C@H]2CCC[C@@H](C[C@H](CC(=O)O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C31H44O6Si/c1-30(2,3)38(27-15-8-6-9-16-27,28-17-10-7-11-18-28)37-25(21-29(32)33)19-23-13-12-14-24(35-23)20-26-22-34-31(4,5)36-26/h6-11,15-18,23-26H,12-14,19-22H2,1-5H3,(H,32,33)/t23-,24+,25+,26+/m0/s1
InChIKeyRGUSGJDQXFMVJY-BKKFENPESA-N
MW540.77 g/mol
LogP5.28
Rot. Bonds10

About (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid (PubChem CID 102183390) has the molecular formula C31H44O6Si and a molecular weight of 540.77 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid
PubChem CID102183390
Molecular FormulaC31H44O6Si
Molecular Weight540.77 g/mol
Exact Mass540.29
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid
SMILESCC1(C)OC[C@@H](C[C@H]2CCC[C@@H](C[C@H](CC(=O)O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C31H44O6Si/c1-30(2,3)38(27-15-8-6-9-16-27,28-17-10-7-11-18-28)37-25(21-29(32)33)19-23-13-12-14-24(35-23)20-26-22-34-31(4,5)36-26/h6-11,15-18,23-26H,12-14,19-22H2,1-5H3,(H,32,33)/t23-,24+,25+,26+/m0/s1
InChIKeyRGUSGJDQXFMVJY-BKKFENPESA-N
XLogP5.28
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.77
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 134831281
[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate
CID 11541653
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
(3R)-4-[(2S,6R)-6-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enyl]oxan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
CID 89570696
2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
CID 172751639
(4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 16098125
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanal
CID 16098127
methyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate
CID 10032920
5-[3-[Tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10885503
methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
CID 10961482
(2S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexane-2,4-diol
CID 11123563

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid (CID 102183390) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid is CC1(C)OC[C@@H](C[C@H]2CCC[C@@H](C[C@H](CC(=O)O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid?
The InChIKey is RGUSGJDQXFMVJY-BKKFENPESA-N. The full InChI is InChI=1S/C31H44O6Si/c1-30(2,3)38(27-15-8-6-9-16-27,28-17-10-7-11-18-28)37-25(21-29(32)33)19-23-13-12-14-24(35-23)20-26-22-34-31(4,5)36-26/h6-11,15-18,23-26H,12-14,19-22H2,1-5H3,(H,32,33)/t23-,24+,25+,26+/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid?
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid has a molecular weight of 540.77 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid is sourced from PubChem (CID 102183390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).