(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal

C32H52O4Si2 — CID 10875376

IUPAC(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal
SMILESCO[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H52O4Si2/c1-25(23-33)30(36-37(10,11)31(3,4)5)22-29(34-9)26(2)24-35-38(32(6,7)8,27-18-14-12-15-19-27)28-20-16-13-17-21-28/h12-21,23,25-26,29-30H,22,24H2,1-11H3/t25-,26-,29+,30+/m0/s1
InChIKeyVIDWVGBDAFVFOD-SRPPIYJJSA-N
MW556.94 g/mol
LogP6.83
Rot. Bonds13

About (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal

(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal (PubChem CID 10875376) has the molecular formula C32H52O4Si2 and a molecular weight of 556.94 g/mol. Its IUPAC name is (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal.

Molecular Properties

Compound Name(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal
PubChem CID10875376
Molecular FormulaC32H52O4Si2
Molecular Weight556.94 g/mol
Exact Mass556.34
IUPAC Name(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal
SMILESCO[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H52O4Si2/c1-25(23-33)30(36-37(10,11)31(3,4)5)22-29(34-9)26(2)24-35-38(32(6,7)8,27-18-14-12-15-19-27)28-20-16-13-17-21-28/h12-21,23,25-26,29-30H,22,24H2,1-11H3/t25-,26-,29+,30+/m0/s1
InChIKeyVIDWVGBDAFVFOD-SRPPIYJJSA-N
XLogP6.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.94
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal?
The IUPAC name of (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal (CID 10875376) is (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal.
What is the SMILES notation for (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal?
The canonical SMILES for (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal is CO[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal?
The InChIKey is VIDWVGBDAFVFOD-SRPPIYJJSA-N. The full InChI is InChI=1S/C32H52O4Si2/c1-25(23-33)30(36-37(10,11)31(3,4)5)22-29(34-9)26(2)24-35-38(32(6,7)8,27-18-14-12-15-19-27)28-20-16-13-17-21-28/h12-21,23,25-26,29-30H,22,24H2,1-11H3/t25-,26-,29+,30+/m0/s1.
What are the key properties of (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal?
(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal has a molecular weight of 556.94 g/mol, XLogP of 6.83, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-2,6-dimethylheptanal is sourced from PubChem (CID 10875376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).