2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one

C23H28O2Si — CID 86086582

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](OCC1=CCCCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-23(2,3)26(20-13-6-4-7-14-20,21-15-8-5-9-16-21)25-18-19-12-10-11-17-22(19)24/h4-9,12-16H,10-11,17-18H2,1-3H3
InChIKeyDEHIQKJGMFGGNQ-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.24
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one (PubChem CID 86086582) has the molecular formula C23H28O2Si and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
PubChem CID86086582
Molecular FormulaC23H28O2Si
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](OCC1=CCCCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-23(2,3)26(20-13-6-4-7-14-20,21-15-8-5-9-16-21)25-18-19-12-10-11-17-22(19)24/h4-9,12-16H,10-11,17-18H2,1-3H3
InChIKeyDEHIQKJGMFGGNQ-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.24
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]oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 16655856
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
CID 154408419
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
2-(anilinomethyl)cyclohex-2-en-1-one
CID 134853640
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one (CID 86086582) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one is CC(C)(C)[Si](OCC1=CCCCC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The InChIKey is DEHIQKJGMFGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2Si/c1-23(2,3)26(20-13-6-4-7-14-20,21-15-8-5-9-16-21)25-18-19-12-10-11-17-22(19)24/h4-9,12-16H,10-11,17-18H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one has a molecular weight of 364.56 g/mol, XLogP of 4.24, 5 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]oxymethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 86086582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).