(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde

C14H28O4Si — CID 134854742

IUPAC(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)16-10-12-8-11(9-15)17-14(4,5)18-12/h9,11-12H,8,10H2,1-7H3/t11-,12+/m1/s1
InChIKeyLUSKTIGMZFVCCG-NEPJUHHUSA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds4

About (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde

(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde (PubChem CID 134854742) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
PubChem CID134854742
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)16-10-12-8-11(9-15)17-14(4,5)18-12/h9,11-12H,8,10H2,1-7H3/t11-,12+/m1/s1
InChIKeyLUSKTIGMZFVCCG-NEPJUHHUSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
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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Related Compounds

(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde
CID 11208879
(2R,4R,5S)-4-t-butyldimethylsiloxymethyl-5-formylmethyl-2-methyl-1,3-dioxane
CID 14621463
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750323
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 59466677
methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 140959622
(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylic acid
CID 173787464
4-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10828234
(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
CID 10902737
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11044428
(4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde
CID 11231936
(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 15350448
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 101913678

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde (CID 134854742) is (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde is CC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1.
What is the InChIKey of (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is LUSKTIGMZFVCCG-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)16-10-12-8-11(9-15)17-14(4,5)18-12/h9,11-12H,8,10H2,1-7H3/t11-,12+/m1/s1.
What are the key properties of (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 288.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 134854742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).