ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate

C17H32O3Si — CID 58242164

IUPACethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-7-19-16(18)13-12-14-10-8-9-11-15(14)20-21(5,6)17(2,3)4/h12-15H,7-11H2,1-6H3/b13-12+/t14-,15-/m0/s1
InChIKeyCYAMJKZELHEDIZ-SWBCYVRMSA-N
MW312.53 g/mol
LogP4.69
Rot. Bonds5

About ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate

ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate (PubChem CID 58242164) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
PubChem CID58242164
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-7-19-16(18)13-12-14-10-8-9-11-15(14)20-21(5,6)17(2,3)4/h12-15H,7-11H2,1-6H3/b13-12+/t14-,15-/m0/s1
InChIKeyCYAMJKZELHEDIZ-SWBCYVRMSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.69
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 (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate (CID 58242164) is ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate is CCOC(=O)/C=C/[C@@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
The InChIKey is CYAMJKZELHEDIZ-SWBCYVRMSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-19-16(18)13-12-14-10-8-9-11-15(14)20-21(5,6)17(2,3)4/h12-15H,7-11H2,1-6H3/b13-12+/t14-,15-/m0/s1.
What are the key properties of ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate?
ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate has a molecular weight of 312.53 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate is sourced from PubChem (CID 58242164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).