diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate

C18H34O5Si — CID 67385150

IUPACdiethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O5Si/c1-8-21-15(19)18(16(20)22-9-2)12-10-14(11-13-18)23-24(6,7)17(3,4)5/h14H,8-13H2,1-7H3
InChIKeyHOZFODFADLELOR-UHFFFAOYSA-N
MW358.55 g/mol
LogP4.06
Rot. Bonds6

About diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate

diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate (PubChem CID 67385150) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate
PubChem CID67385150
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Namediethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O5Si/c1-8-21-15(19)18(16(20)22-9-2)12-10-14(11-13-18)23-24(6,7)17(3,4)5/h14H,8-13H2,1-7H3
InChIKeyHOZFODFADLELOR-UHFFFAOYSA-N
XLogP4.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate?
The IUPAC name of diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate (CID 67385150) is diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate?
The canonical SMILES for diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate?
The InChIKey is HOZFODFADLELOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-21-15(19)18(16(20)22-9-2)12-10-14(11-13-18)23-24(6,7)17(3,4)5/h14H,8-13H2,1-7H3.
What are the key properties of diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate?
diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate has a molecular weight of 358.55 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate is sourced from PubChem (CID 67385150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).