2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

C23H30O4Si — CID 11350058

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC1(C)OC[C@@H](C(=O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H30O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)26-16-20(24)21-17-25-23(4,5)27-21/h6-15,21H,16-17H2,1-5H3/t21-/m0/s1
InChIKeyGELHPEGSKJJQQP-NRFANRHFSA-N
MW398.58 g/mol
LogP3.28
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 11350058) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID11350058
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC1(C)OC[C@@H](C(=O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H30O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)26-16-20(24)21-17-25-23(4,5)27-21/h6-15,21H,16-17H2,1-5H3/t21-/m0/s1
InChIKeyGELHPEGSKJJQQP-NRFANRHFSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 11350058) is 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is CC1(C)OC[C@@H](C(=O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is GELHPEGSKJJQQP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)26-16-20(24)21-17-25-23(4,5)27-21/h6-15,21H,16-17H2,1-5H3/t21-/m0/s1.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 398.58 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 11350058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).