methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate

C24H32O3Si — CID 21082795

IUPACmethyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(21-14-7-5-8-15-21,22-16-9-6-10-17-22)27-20-13-11-12-19(18-20)23(25)26-4/h5-10,14-17,19-20H,11-13,18H2,1-4H3
InChIKeyNMMZEZFSJLGLHB-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.29
Rot. Bonds5

About methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate

methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate (PubChem CID 21082795) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
PubChem CID21082795
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Namemethyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(21-14-7-5-8-15-21,22-16-9-6-10-17-22)27-20-13-11-12-19(18-20)23(25)26-4/h5-10,14-17,19-20H,11-13,18H2,1-4H3
InChIKeyNMMZEZFSJLGLHB-UHFFFAOYSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate (CID 21082795) is methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate is COC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
The InChIKey is NMMZEZFSJLGLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(21-14-7-5-8-15-21,22-16-9-6-10-17-22)27-20-13-11-12-19(18-20)23(25)26-4/h5-10,14-17,19-20H,11-13,18H2,1-4H3.
What are the key properties of methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate?
methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate has a molecular weight of 396.60 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 21082795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).