(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde

C15H30O4Si — CID 10902737

IUPAC(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
SMILESC[C@H]1[C@H](C=O)OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-11-12(9-16)18-15(5,6)19-13(11)10-17-20(7,8)14(2,3)4/h9,11-13H,10H2,1-8H3/t11-,12-,13+/m0/s1
InChIKeyJMVROIZTSAACSR-RWMBFGLXSA-N
MW302.49 g/mol
LogP3.36
Rot. Bonds4

About (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde

(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde (PubChem CID 10902737) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
PubChem CID10902737
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
SMILESC[C@H]1[C@H](C=O)OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-11-12(9-16)18-15(5,6)19-13(11)10-17-20(7,8)14(2,3)4/h9,11-13H,10H2,1-8H3/t11-,12-,13+/m0/s1
InChIKeyJMVROIZTSAACSR-RWMBFGLXSA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.36
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,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 134854742
(2R,4R,5S)-4-t-butyldimethylsiloxymethyl-5-formylmethyl-2-methyl-1,3-dioxane
CID 14621463
methyl (4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 140959622
(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
(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,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde (CID 10902737) is (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde is C[C@H]1[C@H](C=O)OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is JMVROIZTSAACSR-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-11-12(9-16)18-15(5,6)19-13(11)10-17-20(7,8)14(2,3)4/h9,11-13H,10H2,1-8H3/t11-,12-,13+/m0/s1.
What are the key properties of (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde?
(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 302.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 10902737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).