3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal

C16H32O4Si — CID 10892462

IUPAC3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
SMILESCC1(C)OC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)21(6,7)19-12-13-11-18-16(4,5)20-14(13)9-8-10-17/h10,13-14H,8-9,11-12H2,1-7H3/t13-,14-/m1/s1
InChIKeyFVHOWHFLWJGTEU-ZIAGYGMSSA-N
MW316.51 g/mol
LogP3.76
Rot. Bonds6

About 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal

3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal (PubChem CID 10892462) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal.

Molecular Properties

Compound Name3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
PubChem CID10892462
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
SMILESCC1(C)OC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)21(6,7)19-12-13-11-18-16(4,5)20-14(13)9-8-10-17/h10,13-14H,8-9,11-12H2,1-7H3/t13-,14-/m1/s1
InChIKeyFVHOWHFLWJGTEU-ZIAGYGMSSA-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'}

Analyze 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal with MolForge

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Related Compounds

CID 86743977
CID 86743977
(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylheptanal
CID 10475284
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal
CID 10519630
3-[2-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal
CID 10904069
2-[5-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
CID 11099585
(4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde
CID 101346894
(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde
CID 101346900
(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal
CID 102392510
(3S,4R,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylheptanal
CID 102447026

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal?
The IUPAC name of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal (CID 10892462) is 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal.
What is the SMILES notation for 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal?
The canonical SMILES for 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal is CC1(C)OC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)O1.
What is the InChIKey of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal?
The InChIKey is FVHOWHFLWJGTEU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-15(2,3)21(6,7)19-12-13-11-18-16(4,5)20-14(13)9-8-10-17/h10,13-14H,8-9,11-12H2,1-7H3/t13-,14-/m1/s1.
What are the key properties of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal?
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal 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 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal is sourced from PubChem (CID 10892462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).