ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate

C16H32O3Si — CID 10063394

IUPACethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate
SMILESCCOC(=O)C(C1(O)CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-19-14(17)13(20(5,6)15(2,3)4)16(18)11-9-8-10-12-16/h13,18H,7-12H2,1-6H3
InChIKeyWNJRMRSBRPVDDV-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.12
Rot. Bonds4

About ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate

ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate (PubChem CID 10063394) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate
PubChem CID10063394
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate
SMILESCCOC(=O)C(C1(O)CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-19-14(17)13(20(5,6)15(2,3)4)16(18)11-9-8-10-12-16/h13,18H,7-12H2,1-6H3
InChIKeyWNJRMRSBRPVDDV-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
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 ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate (CID 10063394) is ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate is CCOC(=O)C(C1(O)CCCCC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate?
The InChIKey is WNJRMRSBRPVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-19-14(17)13(20(5,6)15(2,3)4)16(18)11-9-8-10-12-16/h13,18H,7-12H2,1-6H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate?
ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate has a molecular weight of 300.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)acetate is sourced from PubChem (CID 10063394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).