2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone

C26H36O2Si — CID 90097927

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone
SMILESC[C@@H]1CC[C@H](C(=O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C
InChIInChI=1S/C26H36O2Si/c1-20-17-18-23(26(20,5)6)24(27)19-28-29(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,17-19H2,1-6H3/t20-,23-/m1/s1
InChIKeyUCUXXBNXDHDWBM-NFBKMPQASA-N
MW408.66 g/mol
LogP5.20
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone

2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone (PubChem CID 90097927) has the molecular formula C26H36O2Si and a molecular weight of 408.66 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone
PubChem CID90097927
Molecular FormulaC26H36O2Si
Molecular Weight408.66 g/mol
Exact Mass408.25
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone
SMILESC[C@@H]1CC[C@H](C(=O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C
InChIInChI=1S/C26H36O2Si/c1-20-17-18-23(26(20,5)6)24(27)19-28-29(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,17-19H2,1-6H3/t20-,23-/m1/s1
InChIKeyUCUXXBNXDHDWBM-NFBKMPQASA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
1-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxythiolan-1-ium-1-yl]ethanone
CID 172826315
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone (CID 90097927) is 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone is C[C@@H]1CC[C@H](C(=O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone?
The InChIKey is UCUXXBNXDHDWBM-NFBKMPQASA-N. The full InChI is InChI=1S/C26H36O2Si/c1-20-17-18-23(26(20,5)6)24(27)19-28-29(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,17-19H2,1-6H3/t20-,23-/m1/s1.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone?
2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone has a molecular weight of 408.66 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone is sourced from PubChem (CID 90097927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).