(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid

C32H52O4Si2 — CID 134871223

IUPAC(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid
SMILESCC[C@H](CCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H52O4Si2/c1-11-26(35-37(9,10)31(3,4)5)19-18-24-29(25(2)30(33)34)36-38(32(6,7)8,27-20-14-12-15-21-27)28-22-16-13-17-23-28/h12-17,20-23,25-26,29H,11,18-19,24H2,1-10H3,(H,33,34)/t25-,26-,29+/m1/s1
InChIKeyTVXLNNFCSGBKDT-GEBXHLAXSA-N
MW556.94 g/mol
LogP7.62
Rot. Bonds13

About (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid

(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid (PubChem CID 134871223) has the molecular formula C32H52O4Si2 and a molecular weight of 556.94 g/mol. Its IUPAC name is (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid.

Molecular Properties

Compound Name(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid
PubChem CID134871223
Molecular FormulaC32H52O4Si2
Molecular Weight556.94 g/mol
Exact Mass556.34
IUPAC Name(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid
SMILESCC[C@H](CCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H52O4Si2/c1-11-26(35-37(9,10)31(3,4)5)19-18-24-29(25(2)30(33)34)36-38(32(6,7)8,27-20-14-12-15-21-27)28-22-16-13-17-23-28/h12-17,20-23,25-26,29H,11,18-19,24H2,1-10H3,(H,33,34)/t25-,26-,29+/m1/s1
InChIKeyTVXLNNFCSGBKDT-GEBXHLAXSA-N
XLogP7.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.94
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 99772264
(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid
CID 11843470
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoic acid
CID 135039835
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoic acid
CID 87454435
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one
CID 11135753

Frequently Asked Questions

What is the IUPAC name of (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid?
The IUPAC name of (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid (CID 134871223) is (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid.
What is the SMILES notation for (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid?
The canonical SMILES for (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid is CC[C@H](CCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid?
The InChIKey is TVXLNNFCSGBKDT-GEBXHLAXSA-N. The full InChI is InChI=1S/C32H52O4Si2/c1-11-26(35-37(9,10)31(3,4)5)19-18-24-29(25(2)30(33)34)36-38(32(6,7)8,27-20-14-12-15-21-27)28-22-16-13-17-23-28/h12-17,20-23,25-26,29H,11,18-19,24H2,1-10H3,(H,33,34)/t25-,26-,29+/m1/s1.
What are the key properties of (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid?
(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid has a molecular weight of 556.94 g/mol, XLogP of 7.62, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid is sourced from PubChem (CID 134871223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).