(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C21H32O4Si — CID 138969278

IUPAC(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC[C@](C=O)([C@H](/C=C/c2ccccc2)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H32O4Si/c1-19(2,3)26(6,7)24-18(14-13-17-11-9-8-10-12-17)21(15-22)16-23-20(4,5)25-21/h8-15,18H,16H2,1-7H3/b14-13+/t18-,21+/m0/s1
InChIKeyNGPQMYHNVUYIDG-MDFWECQCSA-N
MW376.57 g/mol
LogP4.81
Rot. Bonds6

About (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 138969278) has the molecular formula C21H32O4Si and a molecular weight of 376.57 g/mol. Its IUPAC name is (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID138969278
Molecular FormulaC21H32O4Si
Molecular Weight376.57 g/mol
Exact Mass376.21
IUPAC Name(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC[C@](C=O)([C@H](/C=C/c2ccccc2)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H32O4Si/c1-19(2,3)26(6,7)24-18(14-13-17-11-9-8-10-12-17)21(15-22)16-23-20(4,5)25-21/h8-15,18H,16H2,1-7H3/b14-13+/t18-,21+/m0/s1
InChIKeyNGPQMYHNVUYIDG-MDFWECQCSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.81
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'}

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Related Compounds

(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 164670630
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
tert-butyl-[(E,1R)-3-iodo-1-[(4S)-4-methyl-2-phenyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane
CID 50992961
tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383
tert-butyl-dimethyl-[(E,2S)-1,1,1-trichloro-4-(4-ethylphenyl)but-3-en-2-yl]oxysilane
CID 10916217

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 138969278) is (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)OC[C@](C=O)([C@H](/C=C/c2ccccc2)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is NGPQMYHNVUYIDG-MDFWECQCSA-N. The full InChI is InChI=1S/C21H32O4Si/c1-19(2,3)26(6,7)24-18(14-13-17-11-9-8-10-12-17)21(15-22)16-23-20(4,5)25-21/h8-15,18H,16H2,1-7H3/b14-13+/t18-,21+/m0/s1.
What are the key properties of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 376.57 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 138969278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).