(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde

C18H34O5Si — CID 10981227

IUPAC(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde
SMILESCC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](CC[C@H]2O[C@@H]2C=O)O1
InChIInChI=1S/C18H34O5Si/c1-17(2,3)24(6,7)20-11-10-15-14(22-18(4,5)23-15)9-8-13-16(12-19)21-13/h12-16H,8-11H2,1-7H3/t13-,14+,15+,16-/m1/s1
InChIKeyRQTAOUMQJCIBHJ-FXUDXRNXSA-N
MW358.55 g/mol
LogP3.66
Rot. Bonds8

About (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde

(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde (PubChem CID 10981227) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde
PubChem CID10981227
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde
SMILESCC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](CC[C@H]2O[C@@H]2C=O)O1
InChIInChI=1S/C18H34O5Si/c1-17(2,3)24(6,7)20-11-10-15-14(22-18(4,5)23-15)9-8-13-16(12-19)21-13/h12-16H,8-11H2,1-7H3/t13-,14+,15+,16-/m1/s1
InChIKeyRQTAOUMQJCIBHJ-FXUDXRNXSA-N
XLogP3.66
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.66
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
(1S,4S,6R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-dimethyl-5,10,12-trioxatricyclo[7.3.0.04,6]dodecan-2-one
CID 139262762
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
CID 162419872
(2S,3R)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxirane-2-carbaldehyde
CID 164674990
(4S,5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 59721595
(2S,3R)-3-[(2S,3S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxirane-2-carbaldehyde
CID 173835884
(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
(4S,5R)-2,2-dimethyl-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-dioxolane-4-carbaldehyde
CID 10984591
(4R,5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R)-5-oxooxolan-2-yl]methyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11024765
(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal
CID 11060501
(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11313517
(2S)-2-[(4R,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11336490

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde?
The IUPAC name of (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde (CID 10981227) is (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde is CC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](CC[C@H]2O[C@@H]2C=O)O1.
What is the InChIKey of (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde?
The InChIKey is RQTAOUMQJCIBHJ-FXUDXRNXSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-17(2,3)24(6,7)20-11-10-15-14(22-18(4,5)23-15)9-8-13-16(12-19)21-13/h12-16H,8-11H2,1-7H3/t13-,14+,15+,16-/m1/s1.
What are the key properties of (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde?
(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde has a molecular weight of 358.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 10981227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).