(3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal

C24H32O4Si — CID 13843331

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC1(OC[C@@H](O1)[C@@H](CC=O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C
InChIInChI=1S/C24H32O4Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)28-21(16-17-25)22-18-26-24(4,5)27-22/h6-15,17,21-22H,16,18H2,1-5H3/t21-,22-/m1/s1
InChIKeyJJGFEMLBIBYRFM-FGZHOGPDSA-N
MW412.60 g/mol
LogP—
Rot. Bonds8

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

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (PubChem CID 13843331) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
PubChem CID13843331
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC1(OC[C@@H](O1)[C@@H](CC=O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C
InChIInChI=1S/C24H32O4Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)28-21(16-17-25)22-18-26-24(4,5)27-22/h6-15,17,21-22H,16,18H2,1-5H3/t21-,22-/m1/s1
InChIKeyJJGFEMLBIBYRFM-FGZHOGPDSA-N
XLogP—
TPSA44.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity511

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
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 (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (CID 13843331) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is CC1(OC[C@@H](O1)[C@@H](CC=O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The InChIKey is JJGFEMLBIBYRFM-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)28-21(16-17-25)22-18-26-24(4,5)27-22/h6-15,17,21-22H,16,18H2,1-5H3/t21-,22-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal has a molecular weight of 412.60 g/mol, XLogP of not available, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is sourced from PubChem (CID 13843331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).