(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde

C16H32O4Si — CID 101346900

IUPAC(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde
SMILESCC(C)[C@H]1OC(C)(C)O[C@@H](C=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-11(2)13-14(20-21(8,9)15(3,4)5)12(10-17)18-16(6,7)19-13/h10-14H,1-9H3/t12-,13+,14-/m0/s1
InChIKeyANAMUZJBYRXIQJ-MJBXVCDLSA-N
MW316.51 g/mol
LogP3.75
Rot. Bonds4

About (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde

(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde (PubChem CID 101346900) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde
PubChem CID101346900
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde
SMILESCC(C)[C@H]1OC(C)(C)O[C@@H](C=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-11(2)13-14(20-21(8,9)15(3,4)5)12(10-17)18-16(6,7)19-13/h10-14H,1-9H3/t12-,13+,14-/m0/s1
InChIKeyANAMUZJBYRXIQJ-MJBXVCDLSA-N
XLogP3.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.75
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
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
CID 134887006
[(2S,3R,4S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxohexan-2-yl] acetate
CID 101214067
(2R,3R,4S,5S)-3-(tert-butyldimethylsilyloxy)-4-methoxy-5-methyltetrahydro-2H-pyran-2-carbaldehyde
CID 11833079
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-4-methoxy-5-methyl-2H-pyran-2-carboxaldehyde
CID 19699692
(2S,3R,4S,5S)-4-methoxy-5-methyl-3-(tert-butyldimethylsilyloxy)tetrahydro-2H-pyran-2-carbaldehyde
CID 57231418
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxane-2-carbaldehyde
CID 88353211
(2R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethoxy]-4-methyloxane-2-carbaldehyde
CID 88482008
(2R,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 10497945
(2S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 10569762
(2R,3S,5R,6R)-3-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxaldehyde
CID 10593882
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
CID 10892462

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde (CID 101346900) is (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde is CC(C)[C@H]1OC(C)(C)O[C@@H](C=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde?
The InChIKey is ANAMUZJBYRXIQJ-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-11(2)13-14(20-21(8,9)15(3,4)5)12(10-17)18-16(6,7)19-13/h10-14H,1-9H3/t12-,13+,14-/m0/s1.
What are the key properties of (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde?
(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-propan-2-yl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 101346900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).