ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate

C18H34O3Si — CID 54522680

IUPACethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O3Si/c1-8-20-17(19)14(2)13-15-9-11-16(12-10-15)21-22(6,7)18(3,4)5/h13,15-16H,8-12H2,1-7H3
InChIKeyYQYGGYCJKGEKET-UHFFFAOYSA-N
MW326.55 g/mol
LogP5.08
Rot. Bonds5

About ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate

ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate (PubChem CID 54522680) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
PubChem CID54522680
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O3Si/c1-8-20-17(19)14(2)13-15-9-11-16(12-10-15)21-22(6,7)18(3,4)5/h13,15-16H,8-12H2,1-7H3
InChIKeyYQYGGYCJKGEKET-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate (CID 54522680) is ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate is CCOC(=O)C(C)=CC1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate?
The InChIKey is YQYGGYCJKGEKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-20-17(19)14(2)13-15-9-11-16(12-10-15)21-22(6,7)18(3,4)5/h13,15-16H,8-12H2,1-7H3.
What are the key properties of ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate?
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate has a molecular weight of 326.55 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate is sourced from PubChem (CID 54522680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).