ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate

C21H26O2Si — CID 11151926

IUPACethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate
SMILESCCOC(=O)/C(C#CC1=CCCCC1)=C\[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-4-23-21(22)19(16-15-18-11-7-5-8-12-18)17-24(2,3)20-13-9-6-10-14-20/h6,9-11,13-14,17H,4-5,7-8,12H2,1-3H3/b19-17-
InChIKeyNXSLLWADCUQWIO-ZPHPHTNESA-N
MW338.52 g/mol
LogP4.13
Rot. Bonds4

About ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate

ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate (PubChem CID 11151926) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate.

Molecular Properties

Compound Nameethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate
PubChem CID11151926
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Nameethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate
SMILESCCOC(=O)/C(C#CC1=CCCCC1)=C\[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-4-23-21(22)19(16-15-18-11-7-5-8-12-18)17-24(2,3)20-13-9-6-10-14-20/h6,9-11,13-14,17H,4-5,7-8,12H2,1-3H3/b19-17-
InChIKeyNXSLLWADCUQWIO-ZPHPHTNESA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.13
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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ethyl (Z)-4-chloro-3-(cyclohexen-1-yl)-2-oxobut-3-enoate
CID 24854476
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ethyl (Z)-3-amino-2-phenylprop-2-enoate
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ethyl (2Z)-2-[amino(phenyl)methylidene]-3-(cyclohexen-1-yl)but-3-enoate
CID 134836548
ethyl 2-acetyl-5-(cyclohexen-1-yl)-5-(diethylamino)penta-2,4-dienoate
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N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide
CID 50917910

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate?
The IUPAC name of ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate (CID 11151926) is ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate.
What is the SMILES notation for ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate?
The canonical SMILES for ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate is CCOC(=O)/C(C#CC1=CCCCC1)=C\[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate?
The InChIKey is NXSLLWADCUQWIO-ZPHPHTNESA-N. The full InChI is InChI=1S/C21H26O2Si/c1-4-23-21(22)19(16-15-18-11-7-5-8-12-18)17-24(2,3)20-13-9-6-10-14-20/h6,9-11,13-14,17H,4-5,7-8,12H2,1-3H3/b19-17-.
What are the key properties of ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate?
ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate has a molecular weight of 338.52 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate is sourced from PubChem (CID 11151926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).