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

C15H30O4Si — CID 11087989

IUPAC(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
SMILESCC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)17-9-8-12-10-13(11-16)19-15(4,5)18-12/h11-13H,8-10H2,1-7H3/t12-,13-/m1/s1
InChIKeyZFRPJLHVZPNLIG-CHWSQXEVSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds5

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

(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde (PubChem CID 11087989) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
PubChem CID11087989
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
SMILESCC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)17-9-8-12-10-13(11-16)19-15(4,5)18-12/h11-13H,8-10H2,1-7H3/t12-,13-/m1/s1
InChIKeyZFRPJLHVZPNLIG-CHWSQXEVSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
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

methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 10991203
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one
CID 11483490
(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde
CID 10869505
2-[Tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 153875307
(2S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxane-2-carbaldehyde
CID 173844226
2-Trimethylsilyloxyoxane-2-carbaldehyde
CID 175334289
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10755820
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10850923
4-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 21590985
4-[Tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde
CID 85295732

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde (CID 11087989) is (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde is CC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1.
What is the InChIKey of (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is ZFRPJLHVZPNLIG-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)17-9-8-12-10-13(11-16)19-15(4,5)18-12/h11-13H,8-10H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde?
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 302.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 11087989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).