3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde

C30H50N2O4Si2 — CID 58082978

IUPAC3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde
SMILESCc1nc(OCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc(C)c1-c1cccc(C=O)c1C
InChIInChI=1S/C30H50N2O4Si2/c1-21-25(17-33)15-14-16-26(21)27-22(2)31-28(32-23(27)3)34-18-24(19-35-37(10,11)29(4,5)6)20-36-38(12,13)30(7,8)9/h14-17,24H,18-20H2,1-13H3
InChIKeyKDYXVVNUGNYENX-UHFFFAOYSA-N
MW558.91 g/mol
LogP7.92
Rot. Bonds11

About 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde

3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde (PubChem CID 58082978) has the molecular formula C30H50N2O4Si2 and a molecular weight of 558.91 g/mol. Its IUPAC name is 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde
PubChem CID58082978
Molecular FormulaC30H50N2O4Si2
Molecular Weight558.91 g/mol
Exact Mass558.33
IUPAC Name3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde
SMILESCc1nc(OCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc(C)c1-c1cccc(C=O)c1C
InChIInChI=1S/C30H50N2O4Si2/c1-21-25(17-33)15-14-16-26(21)27-22(2)31-28(32-23(27)3)34-18-24(19-35-37(10,11)29(4,5)6)20-36-38(12,13)30(7,8)9/h14-17,24H,18-20H2,1-13H3
InChIKeyKDYXVVNUGNYENX-UHFFFAOYSA-N
XLogP7.92
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.91
LogP ≤ 57.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?
The IUPAC name of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde (CID 58082978) is 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde.
What is the SMILES notation for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?
The canonical SMILES for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde is Cc1nc(OCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc(C)c1-c1cccc(C=O)c1C.
What is the InChIKey of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?
The InChIKey is KDYXVVNUGNYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2O4Si2/c1-21-25(17-33)15-14-16-26(21)27-22(2)31-28(32-23(27)3)34-18-24(19-35-37(10,11)29(4,5)6)20-36-38(12,13)30(7,8)9/h14-17,24H,18-20H2,1-13H3.
What are the key properties of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?
3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde has a molecular weight of 558.91 g/mol, XLogP of 7.92, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde is sourced from PubChem (CID 58082978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).