(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid

C32H52O5Si2 — CID 11843470

IUPAC(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid
SMILESC[C@@H](C[C@@H](O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H52O5Si2/c1-24(23-26(33)21-22-29(25(2)30(34)35)37-38(9,10)31(3,4)5)36-39(32(6,7)8,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,24-26,29,33H,21-23H2,1-10H3,(H,34,35)/t24-,25+,26-,29-/m0/s1
InChIKeyQAWWYUPAZYEMQO-BVXNIFABSA-N
MW572.94 g/mol
LogP6.59
Rot. Bonds13

About (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid

(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid (PubChem CID 11843470) has the molecular formula C32H52O5Si2 and a molecular weight of 572.94 g/mol. Its IUPAC name is (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid.

Molecular Properties

Compound Name(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid
PubChem CID11843470
Molecular FormulaC32H52O5Si2
Molecular Weight572.94 g/mol
Exact Mass572.34
IUPAC Name(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid
SMILESC[C@@H](C[C@@H](O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H52O5Si2/c1-24(23-26(33)21-22-29(25(2)30(34)35)37-38(9,10)31(3,4)5)36-39(32(6,7)8,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,24-26,29,33H,21-23H2,1-10H3,(H,34,35)/t24-,25+,26-,29-/m0/s1
InChIKeyQAWWYUPAZYEMQO-BVXNIFABSA-N
XLogP6.59
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.94
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid
CID 134871223
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one
CID 122207638
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoic acid
CID 87454435
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(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
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid?
The IUPAC name of (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid (CID 11843470) is (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid.
What is the SMILES notation for (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid?
The canonical SMILES for (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid is C[C@@H](C[C@@H](O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid?
The InChIKey is QAWWYUPAZYEMQO-BVXNIFABSA-N. The full InChI is InChI=1S/C32H52O5Si2/c1-24(23-26(33)21-22-29(25(2)30(34)35)37-38(9,10)31(3,4)5)36-39(32(6,7)8,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,24-26,29,33H,21-23H2,1-10H3,(H,34,35)/t24-,25+,26-,29-/m0/s1.
What are the key properties of (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid?
(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid has a molecular weight of 572.94 g/mol, XLogP of 6.59, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid is sourced from PubChem (CID 11843470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).