ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate

C17H30O2Si — CID 11254894

IUPACethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate
SMILESC=C[C@@H]1CCCC[C@H]1/C=C(/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C17H30O2Si/c1-6-14-10-8-9-11-15(14)12-16(13-20(3,4)5)17(18)19-7-2/h6,12,14-15H,1,7-11,13H2,2-5H3/b16-12-/t14-,15+/m1/s1
InChIKeyKWTOGECJUOOWLN-IADCZWJFSA-N
MW294.51 g/mol
LogP4.81
Rot. Bonds6

About ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate

ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate (PubChem CID 11254894) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate
PubChem CID11254894
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nameethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate
SMILESC=C[C@@H]1CCCC[C@H]1/C=C(/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C17H30O2Si/c1-6-14-10-8-9-11-15(14)12-16(13-20(3,4)5)17(18)19-7-2/h6,12,14-15H,1,7-11,13H2,2-5H3/b16-12-/t14-,15+/m1/s1
InChIKeyKWTOGECJUOOWLN-IADCZWJFSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[(1S,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate
CID 101092530
ethyl (E)-6-[(1R,2R)-2-carbonochloridoylcyclopentyl]-2-(trimethylsilylmethyl)hex-2-enoate
CID 11451212
ethyl (Z)-16-oxo-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 10407582
ethyl (2E)-2-(cyclohexylmethylidene)hexanoate
CID 10752447
ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate
CID 175355413
ethyl 2-(oxetan-2-ylmethylidene)butanoate
CID 66839897
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
diethyl (2E,9Z)-2,9-bis(cyclohexylmethylidene)deca-4,6-diynedioate
CID 102084350
ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
CID 100936979
ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate
CID 142734563
2-ethoxyprop-2-enyl(trimethyl)silane
CID 13185405
ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate
CID 15735578

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate (CID 11254894) is ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate is C=C[C@@H]1CCCC[C@H]1/C=C(/C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate?
The InChIKey is KWTOGECJUOOWLN-IADCZWJFSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-6-14-10-8-9-11-15(14)12-16(13-20(3,4)5)17(18)19-7-2/h6,12,14-15H,1,7-11,13H2,2-5H3/b16-12-/t14-,15+/m1/s1.
What are the key properties of ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate?
ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate has a molecular weight of 294.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-enoate is sourced from PubChem (CID 11254894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).