2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione

C23H24O3Si — CID 16655856

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
SMILESCC(C)(C)[Si](OCC1=CC(=O)C=CC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O3Si/c1-23(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-18-16-19(24)14-15-22(18)25/h4-16H,17H2,1-3H3
InChIKeyDSFUHFVRVVMUOS-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.20
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione (PubChem CID 16655856) has the molecular formula C23H24O3Si and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
PubChem CID16655856
Molecular FormulaC23H24O3Si
Molecular Weight376.53 g/mol
Exact Mass376.15
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
SMILESCC(C)(C)[Si](OCC1=CC(=O)C=CC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O3Si/c1-23(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-18-16-19(24)14-15-22(18)25/h4-16H,17H2,1-3H3
InChIKeyDSFUHFVRVVMUOS-UHFFFAOYSA-N
XLogP3.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 86086582
2-bromo-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethoxycyclohexa-2,5-dien-1-one
CID 15543714
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione (CID 16655856) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione is CC(C)(C)[Si](OCC1=CC(=O)C=CC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is DSFUHFVRVVMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3Si/c1-23(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-18-16-19(24)14-15-22(18)25/h4-16H,17H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 376.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 16655856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).