CID 77359229

C22H27O4Si — CID 77359229

IUPAC—
SMILESCC(C)(C)C(O[Si](c1ccccc1)c1ccccc1)C1CC(O)CC(=O)O1
InChIInChI=1S/C22H27O4Si/c1-22(2,3)21(19-14-16(23)15-20(24)25-19)26-27(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19,21,23H,14-15H2,1-3H3
InChIKeyQGSYTRPVGUNAEA-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.29
Rot. Bonds5

About CID 77359229

CID 77359229 (PubChem CID 77359229) has the molecular formula C22H27O4Si and a molecular weight of 383.54 g/mol.

Molecular Properties

Compound NameCID 77359229
PubChem CID77359229
Molecular FormulaC22H27O4Si
Molecular Weight383.54 g/mol
Exact Mass383.17
IUPAC Name—
SMILESCC(C)(C)C(O[Si](c1ccccc1)c1ccccc1)C1CC(O)CC(=O)O1
InChIInChI=1S/C22H27O4Si/c1-22(2,3)21(19-14-16(23)15-20(24)25-19)26-27(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19,21,23H,14-15H2,1-3H3
InChIKeyQGSYTRPVGUNAEA-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one
CID 11440980
6-[2-(tert-Butyl-diphenyl-silanyloxy)-pentyl]-4-methyl-tetrahydro-pyran-2-one
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6-[6-(tert-Butyl-diphenyl-silanyloxy)-4-methoxy-2-methyl-nonyl]-4-hydroxy-tetrahydro-pyran-2-one
CID 46844802
(R)-4-((2R,4S,6S)-4-((tert-Butyldimethylsilyl)oxy)-5,5-dimethyl-6-((S)-2-((triethylsilyl)oxy)-4-((trimethylsilyl)methyl)pent-4-en-1-yl)tetrahydro-2H-pyran-2-yl)-3-((tert-butyldiphenylsilyl)oxy)butanoic acid
CID 57327136
(R)-3-((tert-Butyldiphenylsilyl)oxy)-4-((2S,6S)-5,5-dimethyl-6-((S)-2-((triethylsilyl)oxy)-4-((trimethylsilyl)methyl)pent-4-en-1-yl)tetrahydro-2H-pyran-2-yl)butanoic acid
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CID 71479683
2-((2R,4S,6S)-4-((tert-Butyldimethylsilyl)oxy-6-(2-((tert-butyldiphenylsilyl)oxy)ethyl)tetrahydro-2H-pyran-2-yl)acetic acid
CID 71489704
2-((2R,4S,6S)-6-(2-((tert-Butyldiphenylsilyl)oxy)ethyl)-4-hydroxytetrahydro-2H-pyran-2-yl)acetic acid
CID 71489705
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CID 71490665
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 77359229?
The IUPAC name of CID 77359229 (CID 77359229) is not available.
What is the SMILES notation for CID 77359229?
The canonical SMILES for CID 77359229 is CC(C)(C)C(O[Si](c1ccccc1)c1ccccc1)C1CC(O)CC(=O)O1.
What is the InChIKey of CID 77359229?
The InChIKey is QGSYTRPVGUNAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27O4Si/c1-22(2,3)21(19-14-16(23)15-20(24)25-19)26-27(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19,21,23H,14-15H2,1-3H3.
What are the key properties of CID 77359229?
CID 77359229 has a molecular weight of 383.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 77359229 is sourced from PubChem (CID 77359229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).