2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde

C18H34O3Si — CID 102134604

IUPAC2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde
SMILESC=C[C@H](C)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CC=O)O1
InChIInChI=1S/C18H34O3Si/c1-8-14(2)11-16-13-17(12-15(20-16)9-10-19)21-22(6,7)18(3,4)5/h8,10,14-17H,1,9,11-13H2,2-7H3/t14-,15-,16+,17+/m0/s1
InChIKeyFPYAAGRPCZRBET-MWDXBVQZSA-N
MW326.55 g/mol
LogP4.73
Rot. Bonds7

About 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde

2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde (PubChem CID 102134604) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde
PubChem CID102134604
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde
SMILESC=C[C@H](C)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CC=O)O1
InChIInChI=1S/C18H34O3Si/c1-8-14(2)11-16-13-17(12-15(20-16)9-10-19)21-22(6,7)18(3,4)5/h8,10,14-17H,1,9,11-13H2,2-7H3/t14-,15-,16+,17+/m0/s1
InChIKeyFPYAAGRPCZRBET-MWDXBVQZSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11150688
(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal
CID 10882441
1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone
CID 11624849
2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde
CID 16742608
(4R,6S)-4-[(E)-2-tributylstannylethenyl]-6-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]oxan-2-one
CID 138981339
(3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11185625
methyl (2S)-2-[(2S,5S,6S)-6-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-yl]-5-methyloxan-2-yl]propanoate
CID 11475450
2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]acetaldehyde
CID 16726291
(3R)-4-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-3-methoxybutanal
CID 16726294
[(3R,4R)-4-methylhex-5-en-3-yl] (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-oxoheptanoate
CID 24807199
1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one
CID 24881632
(E,3R,4R,5R,6S)-5-methoxy-4,6-dimethyl-3-triethylsilyloxydec-8-enal
CID 42604607

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde (CID 102134604) is 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde is C=C[C@H](C)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CC=O)O1.
What is the InChIKey of 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde?
The InChIKey is FPYAAGRPCZRBET-MWDXBVQZSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-14(2)11-16-13-17(12-15(20-16)9-10-19)21-22(6,7)18(3,4)5/h8,10,14-17H,1,9,11-13H2,2-7H3/t14-,15-,16+,17+/m0/s1.
What are the key properties of 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde?
2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde has a molecular weight of 326.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde is sourced from PubChem (CID 102134604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).