propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate

C26H36O3Si — CID 71016910

IUPACpropan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)OC(=O)C1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H36O3Si/c1-20(2)28-25(27)21-16-18-22(19-17-21)29-30(26(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20-22H,16-19H2,1-5H3
InChIKeyYAHUAFIWRKAJCV-UHFFFAOYSA-N
MW424.66 g/mol
LogP5.07
Rot. Bonds6

About propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate

propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate (PubChem CID 71016910) has the molecular formula C26H36O3Si and a molecular weight of 424.66 g/mol. Its IUPAC name is propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
PubChem CID71016910
Molecular FormulaC26H36O3Si
Molecular Weight424.66 g/mol
Exact Mass424.24
IUPAC Namepropan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)OC(=O)C1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H36O3Si/c1-20(2)28-25(27)21-16-18-22(19-17-21)29-30(26(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20-22H,16-19H2,1-5H3
InChIKeyYAHUAFIWRKAJCV-UHFFFAOYSA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
3-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-3-oxopropanenitrile
CID 171719158
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-methyl 2-O-(2-methylpropyl) 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 67213573
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
The IUPAC name of propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate (CID 71016910) is propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate is CC(C)OC(=O)C1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
The InChIKey is YAHUAFIWRKAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O3Si/c1-20(2)28-25(27)21-16-18-22(19-17-21)29-30(26(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20-22H,16-19H2,1-5H3.
What are the key properties of propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate has a molecular weight of 424.66 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 71016910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).