ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate

C18H34O2Si — CID 15891480

IUPACethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34O2Si/c1-8-20-17(19)16(13-21(5,6)7)14-9-11-15(12-10-14)18(2,3)4/h15H,8-13H2,1-7H3/b16-14-
InChIKeyRPSFORCEDQRGAS-PEZBUJJGSA-N
MW310.55 g/mol
LogP5.42
Rot. Bonds4

About ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate

ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate (PubChem CID 15891480) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate
PubChem CID15891480
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nameethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34O2Si/c1-8-20-17(19)16(13-21(5,6)7)14-9-11-15(12-10-14)18(2,3)4/h15H,8-13H2,1-7H3/b16-14-
InChIKeyRPSFORCEDQRGAS-PEZBUJJGSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate?
The IUPAC name of ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate (CID 15891480) is ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate.
What is the SMILES notation for ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate?
The canonical SMILES for ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate is CCOC(=O)C(C[Si](C)(C)C)=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate?
The InChIKey is RPSFORCEDQRGAS-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-8-20-17(19)16(13-21(5,6)7)14-9-11-15(12-10-14)18(2,3)4/h15H,8-13H2,1-7H3/b16-14-.
What are the key properties of ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate?
ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate has a molecular weight of 310.55 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylcyclohexylidene)-3-trimethylsilylpropanoate is sourced from PubChem (CID 15891480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).