(4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde

C17H34O4Si — CID 10980441

IUPAC(4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@]1(C=O)OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C17H34O4Si/c1-13(2)15(4,5)22(8,9)20-12-17(11-18)14(3)10-19-16(6,7)21-17/h11,13-14H,10,12H2,1-9H3/t14-,17-/m0/s1
InChIKeyNOIGKBPWXFBUPL-YOEHRIQHSA-N
MW330.54 g/mol
LogP4.00
Rot. Bonds6

About (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde

(4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde (PubChem CID 10980441) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
PubChem CID10980441
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@]1(C=O)OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C17H34O4Si/c1-13(2)15(4,5)22(8,9)20-12-17(11-18)14(3)10-19-16(6,7)21-17/h11,13-14H,10,12H2,1-9H3/t14-,17-/m0/s1
InChIKeyNOIGKBPWXFBUPL-YOEHRIQHSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.00
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,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
(4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde
CID 11231936
(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 11462195
4-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 56837463

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde (CID 10980441) is (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde is CC(C)C(C)(C)[Si](C)(C)OC[C@]1(C=O)OC(C)(C)OC[C@@H]1C.
What is the InChIKey of (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is NOIGKBPWXFBUPL-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-13(2)15(4,5)22(8,9)20-12-17(11-18)14(3)10-19-16(6,7)21-17/h11,13-14H,10,12H2,1-9H3/t14-,17-/m0/s1.
What are the key properties of (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
(4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 330.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 10980441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).