2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

C19H36O6Si — CID 89338520

IUPAC2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC1COC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OC1CC=O
InChIInChI=1S/C19H36O6Si/c1-8-26(9-2,10-3)25-15-13-21-18(4,5)23-17(15)16-14(11-12-20)22-19(6,7)24-16/h12,14-17H,8-11,13H2,1-7H3/t14?,15?,16-,17-/m1/s1
InChIKeyNVFZABNNOVSUHP-BHUNQDJPSA-N
MW388.58 g/mol
LogP3.64
Rot. Bonds8

About 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 89338520) has the molecular formula C19H36O6Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID89338520
Molecular FormulaC19H36O6Si
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC1COC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OC1CC=O
InChIInChI=1S/C19H36O6Si/c1-8-26(9-2,10-3)25-15-13-21-18(4,5)23-17(15)16-14(11-12-20)22-19(6,7)24-16/h12,14-17H,8-11,13H2,1-7H3/t14?,15?,16-,17-/m1/s1
InChIKeyNVFZABNNOVSUHP-BHUNQDJPSA-N
XLogP3.64
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.64
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 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 89338520) is 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is CC[Si](CC)(CC)OC1COC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OC1CC=O.
What is the InChIKey of 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is NVFZABNNOVSUHP-BHUNQDJPSA-N. The full InChI is InChI=1S/C19H36O6Si/c1-8-26(9-2,10-3)25-15-13-21-18(4,5)23-17(15)16-14(11-12-20)22-19(6,7)24-16/h12,14-17H,8-11,13H2,1-7H3/t14?,15?,16-,17-/m1/s1.
What are the key properties of 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 388.58 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 89338520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).