(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C32H50O5Si2 — CID 164670630

IUPAC(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C=O)COC(C)(C)O1
InChIInChI=1S/C32H50O5Si2/c1-25(28(36-38(10,11)29(2,3)4)32(23-33)24-34-31(8,9)37-32)22-35-39(30(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27/h12-21,23,25,28H,22,24H2,1-11H3/t25-,28+,32-/m1/s1
InChIKeyUFRCEMWXCQSHAS-DUIWDDNPSA-N
MW570.92 g/mol
LogP6.31
Rot. Bonds10

About (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 164670630) has the molecular formula C32H50O5Si2 and a molecular weight of 570.92 g/mol. Its IUPAC name is (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID164670630
Molecular FormulaC32H50O5Si2
Molecular Weight570.92 g/mol
Exact Mass570.32
IUPAC Name(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C=O)COC(C)(C)O1
InChIInChI=1S/C32H50O5Si2/c1-25(28(36-38(10,11)29(2,3)4)32(23-33)24-34-31(8,9)37-32)22-35-39(30(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27/h12-21,23,25,28H,22,24H2,1-11H3/t25-,28+,32-/m1/s1
InChIKeyUFRCEMWXCQSHAS-DUIWDDNPSA-N
XLogP6.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.92
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 164670630) is (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C=O)COC(C)(C)O1.
What is the InChIKey of (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is UFRCEMWXCQSHAS-DUIWDDNPSA-N. The full InChI is InChI=1S/C32H50O5Si2/c1-25(28(36-38(10,11)29(2,3)4)32(23-33)24-34-31(8,9)37-32)22-35-39(30(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27/h12-21,23,25,28H,22,24H2,1-11H3/t25-,28+,32-/m1/s1.
What are the key properties of (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 570.92 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 164670630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).