(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

C15H28O4Si — CID 11426573

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h9-13H,1H2,2-8H3/t11-,12-,13-/m0/s1
InChIKeyALGUGULZPHGHSY-AVGNSLFASA-N
MW300.47 g/mol
LogP3.28
Rot. Bonds5

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 11426573) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID11426573
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h9-13H,1H2,2-8H3/t11-,12-,13-/m0/s1
InChIKeyALGUGULZPHGHSY-AVGNSLFASA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11174096
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-4H-1,3-dioxin-4-yl]propanal
CID 134856082
3-[Tert-butyl(dimethyl)silyl]oxy-3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanal
CID 53786863
2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
CID 67043399
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-one
CID 10736878
methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 10959296
[(1R)-1-[(4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 11160517
(4R,5R)-5-[(1R)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11299172
[tert-butyl(dimethyl)silyl] (4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 13846564
(4R,5S)-5-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 46237391
(2S)-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(methoxymethoxy)acetaldehyde
CID 46895254
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 53359687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 11426573) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is C=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is ALGUGULZPHGHSY-AVGNSLFASA-N. The full InChI is InChI=1S/C15H28O4Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h9-13H,1H2,2-8H3/t11-,12-,13-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 300.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 11426573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).