2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde

C16H32O4Si — CID 101163170

IUPAC2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
SMILESCC1(C)OCC(CC=O)(CCO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C16H32O4Si/c1-14(2,3)21(6,7)20-11-9-16(8-10-17)12-18-15(4,5)19-13-16/h10H,8-9,11-13H2,1-7H3
InChIKeyZFSFESLRJOYOTL-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.76
Rot. Bonds6

About 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde

2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde (PubChem CID 101163170) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
PubChem CID101163170
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
SMILESCC1(C)OCC(CC=O)(CCO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C16H32O4Si/c1-14(2,3)21(6,7)20-11-9-16(8-10-17)12-18-15(4,5)19-13-16/h10H,8-9,11-13H2,1-7H3
InChIKeyZFSFESLRJOYOTL-UHFFFAOYSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.76
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 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
The IUPAC name of 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde (CID 101163170) is 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde.
What is the SMILES notation for 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
The canonical SMILES for 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde is CC1(C)OCC(CC=O)(CCO[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
The InChIKey is ZFSFESLRJOYOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-14(2,3)21(6,7)20-11-9-16(8-10-17)12-18-15(4,5)19-13-16/h10H,8-9,11-13H2,1-7H3.
What are the key properties of 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde is sourced from PubChem (CID 101163170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).