2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde

C16H32O3Si — CID 16732244

IUPAC2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde
SMILESCC[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@H](CC=O)[C@@H]1C
InChIInChI=1S/C16H32O3Si/c1-9-13-12(2)14(10-11-17)19-20(18-13,15(3,4)5)16(6,7)8/h11-14H,9-10H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeyYGGMGCCRFCWIOF-MGPQQGTHSA-N
MW300.51 g/mol
LogP4.45
Rot. Bonds3

About 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde

2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde (PubChem CID 16732244) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde
PubChem CID16732244
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde
SMILESCC[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@H](CC=O)[C@@H]1C
InChIInChI=1S/C16H32O3Si/c1-9-13-12(2)14(10-11-17)19-20(18-13,15(3,4)5)16(6,7)8/h11-14H,9-10H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeyYGGMGCCRFCWIOF-MGPQQGTHSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane
CID 10734932
2-[(2S,3R,4aR,6S,7R,8aR)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 15605711
ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-(2-hydroxyethyl)-1,3,2-dioxasilinan-4-yl]acetate
CID 91499780
2-(3,4,5-trihydroxy-6-methyloxan-2-yl)acetaldehyde
CID 88533979
2-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)acetaldehyde
CID 130035928
1-[(3R,4R,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]propan-2-one
CID 102372351
tert-butyl-[2-[(4S,5S,6R)-2,2-ditert-butyl-6-[(Z)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]ethoxy]-dimethylsilane
CID 134846498
(2S)-2-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]propanal
CID 10913151
propanal;trihydrochloride
CID 140558923
propanal;propane
CID 91031727
methane;propanal
CID 159115270
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde (CID 16732244) is 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde is CC[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@H](CC=O)[C@@H]1C.
What is the InChIKey of 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde?
The InChIKey is YGGMGCCRFCWIOF-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-13-12(2)14(10-11-17)19-20(18-13,15(3,4)5)16(6,7)8/h11-14H,9-10H2,1-8H3/t12-,13-,14-/m1/s1.
What are the key properties of 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde?
2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde has a molecular weight of 300.51 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde is sourced from PubChem (CID 16732244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).