(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal

C19H36O5Si — CID 11057796

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal
SMILESCO[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC2(CCCCC2)O[C@@H]1C
InChIInChI=1S/C19H36O5Si/c1-14-16(23-19(22-14)11-9-8-10-12-19)17(15(13-20)21-5)24-25(6,7)18(2,3)4/h13-17H,8-12H2,1-7H3/t14-,15+,16+,17-/m1/s1
InChIKeyIFNVQLIQXFYVAY-LTIDMASMSA-N
MW372.58 g/mol
LogP4.05
Rot. Bonds6

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal (PubChem CID 11057796) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal
PubChem CID11057796
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal
SMILESCO[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC2(CCCCC2)O[C@@H]1C
InChIInChI=1S/C19H36O5Si/c1-14-16(23-19(22-14)11-9-8-10-12-19)17(15(13-20)21-5)24-25(6,7)18(2,3)4/h13-17H,8-12H2,1-7H3/t14-,15+,16+,17-/m1/s1
InChIKeyIFNVQLIQXFYVAY-LTIDMASMSA-N
XLogP4.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.05
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
(3aR,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 11174537
2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
CID 134887006
(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
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931202
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931206
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propanoyl-1,3-dioxolan-4-yl]propan-1-one
CID 162402950
2,2-Dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)-propyl]-[1,3]dioxolane-4-carboxaldehyde
CID 552050

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal?
The IUPAC name of (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) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal is CO[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC2(CCCCC2)O[C@@H]1C.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal?
The InChIKey is IFNVQLIQXFYVAY-LTIDMASMSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-14-16(23-19(22-14)11-9-8-10-12-19)17(15(13-20)21-5)24-25(6,7)18(2,3)4/h13-17H,8-12H2,1-7H3/t14-,15+,16+,17-/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal has a molecular weight of 372.58 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]propanal is sourced from PubChem (CID 11057796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).