(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde

C16H30O5Si — CID 134887006

IUPAC(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@@H](C=O)[C@](CCC=O)(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-14(2,3)22(6,7)19-12-16(9-8-10-17)13(11-18)20-15(4,5)21-16/h10-11,13H,8-9,12H2,1-7H3/t13-,16-/m0/s1
InChIKeyYRAGSRUPUOIONL-BBRMVZONSA-N
MW330.50 g/mol
LogP3.08
Rot. Bonds7

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

(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde (PubChem CID 134887006) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
PubChem CID134887006
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@@H](C=O)[C@](CCC=O)(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-14(2,3)22(6,7)19-12-16(9-8-10-17)13(11-18)20-15(4,5)21-16/h10-11,13H,8-9,12H2,1-7H3/t13-,16-/m0/s1
InChIKeyYRAGSRUPUOIONL-BBRMVZONSA-N
XLogP3.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.08
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'}

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 134839644
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 164670629
(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde
CID 150066859
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
CID 175882115
(4R,5S)-5-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10830300
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.4]nonan-3-yl]propanal
CID 10861275
2-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10902736
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal
CID 11057796
(4R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11771103
(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11961780

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde (CID 134887006) is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde is CC1(C)O[C@@H](C=O)[C@](CCC=O)(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde?
The InChIKey is YRAGSRUPUOIONL-BBRMVZONSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-14(2,3)22(6,7)19-12-16(9-8-10-17)13(11-18)20-15(4,5)21-16/h10-11,13H,8-9,12H2,1-7H3/t13-,16-/m0/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde?
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde has a molecular weight of 330.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 134887006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).