2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde

C36H56O6Si — CID 46844367

IUPAC2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde
SMILESCCC[C@H](C[C@@H](C[C@@H](C)C[C@H]1C[C@H](OCOC)C[C@@H](CC=O)O1)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H56O6Si/c1-8-15-30(42-43(36(3,4)5,34-16-11-9-12-17-34)35-18-13-10-14-19-35)25-31(39-7)22-28(2)23-33-26-32(40-27-38-6)24-29(41-33)20-21-37/h9-14,16-19,21,28-33H,8,15,20,22-27H2,1-7H3/t28-,29-,30-,31-,32-,33+/m1/s1
InChIKeyZTZRJMPBLKSDRU-CPTJLBBFSA-N
MW612.92 g/mol
LogP6.68
Rot. Bonds18

About 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde

2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde (PubChem CID 46844367) has the molecular formula C36H56O6Si and a molecular weight of 612.92 g/mol. Its IUPAC name is 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde
PubChem CID46844367
Molecular FormulaC36H56O6Si
Molecular Weight612.92 g/mol
Exact Mass612.38
IUPAC Name2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde
SMILESCCC[C@H](C[C@@H](C[C@@H](C)C[C@H]1C[C@H](OCOC)C[C@@H](CC=O)O1)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H56O6Si/c1-8-15-30(42-43(36(3,4)5,34-16-11-9-12-17-34)35-18-13-10-14-19-35)25-31(39-7)22-28(2)23-33-26-32(40-27-38-6)24-29(41-33)20-21-37/h9-14,16-19,21,28-33H,8,15,20,22-27H2,1-7H3/t28-,29-,30-,31-,32-,33+/m1/s1
InChIKeyZTZRJMPBLKSDRU-CPTJLBBFSA-N
XLogP6.68
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.92
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde (CID 46844367) is 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde is CCC[C@H](C[C@@H](C[C@@H](C)C[C@H]1C[C@H](OCOC)C[C@@H](CC=O)O1)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde?
The InChIKey is ZTZRJMPBLKSDRU-CPTJLBBFSA-N. The full InChI is InChI=1S/C36H56O6Si/c1-8-15-30(42-43(36(3,4)5,34-16-11-9-12-17-34)35-18-13-10-14-19-35)25-31(39-7)22-28(2)23-33-26-32(40-27-38-6)24-29(41-33)20-21-37/h9-14,16-19,21,28-33H,8,15,20,22-27H2,1-7H3/t28-,29-,30-,31-,32-,33+/m1/s1.
What are the key properties of 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde?
2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde has a molecular weight of 612.92 g/mol, XLogP of 6.68, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6S)-6-[(2R,4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-4-(methoxymethoxy)oxan-2-yl]acetaldehyde is sourced from PubChem (CID 46844367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).