(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

C25H32O4Si — CID 71499967

IUPAC(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O4Si/c1-7-21-23(28-25(5,6)27-21)22(18-26)29-30(24(2,3)4,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h7-18,21-23H,1H2,2-6H3/t21-,22-,23-/m1/s1
InChIKeyNLGQJZRGRVJTPM-DNVJHFABSA-N
MW424.61 g/mol
LogP3.84
Rot. Bonds7

About (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 71499967) has the molecular formula C25H32O4Si and a molecular weight of 424.61 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID71499967
Molecular FormulaC25H32O4Si
Molecular Weight424.61 g/mol
Exact Mass424.21
IUPAC Name(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O4Si/c1-7-21-23(28-25(5,6)27-21)22(18-26)29-30(24(2,3)4,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h7-18,21-23H,1H2,2-6H3/t21-,22-,23-/m1/s1
InChIKeyNLGQJZRGRVJTPM-DNVJHFABSA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.84
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 71499967) is (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is C=C[C@H]1OC(C)(C)O[C@H]1[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is NLGQJZRGRVJTPM-DNVJHFABSA-N. The full InChI is InChI=1S/C25H32O4Si/c1-7-21-23(28-25(5,6)27-21)22(18-26)29-30(24(2,3)4,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h7-18,21-23H,1H2,2-6H3/t21-,22-,23-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 424.61 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 71499967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).