ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate

C16H32O3Si — CID 10828109

IUPACethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-7-18-15(17)12-13-9-8-10-14(11-13)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyRBMGRFUJZFIKNP-KGLIPLIRSA-N
MW300.52 g/mol
LogP4.52
Rot. Bonds5

About ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate

ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate (PubChem CID 10828109) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
PubChem CID10828109
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-7-18-15(17)12-13-9-8-10-14(11-13)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyRBMGRFUJZFIKNP-KGLIPLIRSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.52
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 ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The IUPAC name of ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate (CID 10828109) is ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The canonical SMILES for ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate is CCOC(=O)C[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The InChIKey is RBMGRFUJZFIKNP-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-18-15(17)12-13-9-8-10-14(11-13)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate has a molecular weight of 300.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate is sourced from PubChem (CID 10828109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).