(4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde

C12H24O5Si — CID 101157962

IUPAC(4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde
SMILESCC1OC[C@@H](OO[Si](C)(C)C(C)(C)C)[C@H](C=O)O1
InChIInChI=1S/C12H24O5Si/c1-9-14-8-11(10(7-13)15-9)16-17-18(5,6)12(2,3)4/h7,9-11H,8H2,1-6H3/t9?,10-,11+/m0/s1
InChIKeyKUMAZMJGGRLAQI-QXXIUIOUSA-N
MW276.40 g/mol
LogP2.27
Rot. Bonds4

About (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde

(4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde (PubChem CID 101157962) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde
PubChem CID101157962
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name(4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde
SMILESCC1OC[C@@H](OO[Si](C)(C)C(C)(C)C)[C@H](C=O)O1
InChIInChI=1S/C12H24O5Si/c1-9-14-8-11(10(7-13)15-9)16-17-18(5,6)12(2,3)4/h7,9-11H,8H2,1-6H3/t9?,10-,11+/m0/s1
InChIKeyKUMAZMJGGRLAQI-QXXIUIOUSA-N
XLogP2.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde
CID 168819907
(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
CID 57231418
2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde
CID 173256593
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
(2-methyl-1,3-dioxolan-4-yl) formate
CID 175326174
(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde
CID 154729224
tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 178070071
(1S,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11149544
(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 14561357
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde (CID 101157962) is (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde is CC1OC[C@@H](OO[Si](C)(C)C(C)(C)C)[C@H](C=O)O1.
What is the InChIKey of (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is KUMAZMJGGRLAQI-QXXIUIOUSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-9-14-8-11(10(7-13)15-9)16-17-18(5,6)12(2,3)4/h7,9-11H,8H2,1-6H3/t9?,10-,11+/m0/s1.
What are the key properties of (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde?
(4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 276.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 101157962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).