1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone

C24H31ClO2Si — CID 88611275

IUPAC1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
SMILESCC(C)(C)[Si](OC1CCC(C(=O)CCl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31ClO2Si/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-20-16-14-19(15-17-20)23(26)18-25/h4-13,19-20H,14-18H2,1-3H3
InChIKeyXLAASRAACUCKBA-UHFFFAOYSA-N
MW415.05 g/mol
LogP4.93
Rot. Bonds6

About 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone

1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone (PubChem CID 88611275) has the molecular formula C24H31ClO2Si and a molecular weight of 415.05 g/mol. Its IUPAC name is 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone.

Molecular Properties

Compound Name1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
PubChem CID88611275
Molecular FormulaC24H31ClO2Si
Molecular Weight415.05 g/mol
Exact Mass414.18
IUPAC Name1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
SMILESCC(C)(C)[Si](OC1CCC(C(=O)CCl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31ClO2Si/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-20-16-14-19(15-17-20)23(26)18-25/h4-13,19-20H,14-18H2,1-3H3
InChIKeyXLAASRAACUCKBA-UHFFFAOYSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.05
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-3-oxopropanenitrile
CID 171719158
propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
CID 71016910
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
1-O-methyl 2-O-(2-methylpropyl) 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 67213573
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70976300
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone?
The IUPAC name of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone (CID 88611275) is 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone.
What is the SMILES notation for 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone?
The canonical SMILES for 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone is CC(C)(C)[Si](OC1CCC(C(=O)CCl)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone?
The InChIKey is XLAASRAACUCKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClO2Si/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-20-16-14-19(15-17-20)23(26)18-25/h4-13,19-20H,14-18H2,1-3H3.
What are the key properties of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone?
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone has a molecular weight of 415.05 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone is sourced from PubChem (CID 88611275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).