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

C14H28O5Si — CID 90998834

IUPAC(4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H]([C@H](O)C(O)[Si](C)(C)C(C)(C)C)[C@H](C=O)O1
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(6,7)12(17)10(16)11-9(8-15)18-14(4,5)19-11/h8-12,16-17H,1-7H3/t9-,10-,11-,12?/m0/s1
InChIKeyAWCHDWQBTUGICO-XOGOEWOHSA-N
MW304.46 g/mol
LogP1.47
Rot. Bonds4

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

(4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 90998834) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID90998834
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H]([C@H](O)C(O)[Si](C)(C)C(C)(C)C)[C@H](C=O)O1
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(6,7)12(17)10(16)11-9(8-15)18-14(4,5)19-11/h8-12,16-17H,1-7H3/t9-,10-,11-,12?/m0/s1
InChIKeyAWCHDWQBTUGICO-XOGOEWOHSA-N
XLogP1.47
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
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,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal
CID 135009767
(2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal
CID 135038357
5-O-Methyl-2,3-O-(1-methylethylidene)pentose
CID 547796
3,4-O-Isopropylidene-L-arabinose
CID 11401250
2-Hydroxy-2-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 18386925
(4R,5R)-5-((R)-1,2-Dihydroxyethyl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 18639771
(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 18664737
5-(1,2-Dihydroxyethyl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 18757209
5-O-((1,1-Dimethylethyl)dimethylsilyl)-2,3-O-(1-methylethylidene)-D-ribose
CID 21969848
(S)-2-Hydroxy-2-((4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 22840175
(4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 54241708
(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 54241709

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 90998834) is (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)O[C@H]([C@H](O)C(O)[Si](C)(C)C(C)(C)C)[C@H](C=O)O1.
What is the InChIKey of (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is AWCHDWQBTUGICO-XOGOEWOHSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-13(2,3)20(6,7)12(17)10(16)11-9(8-15)18-14(4,5)19-11/h8-12,16-17H,1-7H3/t9-,10-,11-,12?/m0/s1.
What are the key properties of (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 304.46 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 90998834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).