2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde

C16H32O4Si — CID 11461255

IUPAC2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC1(C)O[C@H](CC=O)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)21(6,7)18-11-9-14-12-13(8-10-17)19-16(4,5)20-14/h10,13-14H,8-9,11-12H2,1-7H3/t13-,14+/m1/s1
InChIKeyKZPCGYJMIHDRTM-KGLIPLIRSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds6

About 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde

2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 11461255) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
PubChem CID11461255
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC1(C)O[C@H](CC=O)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)21(6,7)18-11-9-14-12-13(8-10-17)19-16(4,5)20-14/h10,13-14H,8-9,11-12H2,1-7H3/t13-,14+/m1/s1
InChIKeyKZPCGYJMIHDRTM-KGLIPLIRSA-N
XLogP3.90
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 ≤ 53.90
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-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde (CID 11461255) is 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde is CC1(C)O[C@H](CC=O)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is KZPCGYJMIHDRTM-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-15(2,3)21(6,7)18-11-9-14-12-13(8-10-17)19-16(4,5)20-14/h10,13-14H,8-9,11-12H2,1-7H3/t13-,14+/m1/s1.
What are the key properties of 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 11461255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).