ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate

C16H22O2Si — CID 102048288

IUPACethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCc2ccccc2C[Si]1(C)C
InChIInChI=1S/C16H22O2Si/c1-4-18-16(17)11-15-10-9-13-7-5-6-8-14(13)12-19(15,2)3/h5-8,11H,4,9-10,12H2,1-3H3/b15-11-
InChIKeyJFPXZEFFNFEDEY-PTNGSMBKSA-N
MW274.44 g/mol
LogP3.45
Rot. Bonds2

About ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate

ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate (PubChem CID 102048288) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate
PubChem CID102048288
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Nameethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCc2ccccc2C[Si]1(C)C
InChIInChI=1S/C16H22O2Si/c1-4-18-16(17)11-15-10-9-13-7-5-6-8-14(13)12-19(15,2)3/h5-8,11H,4,9-10,12H2,1-3H3/b15-11-
InChIKeyJFPXZEFFNFEDEY-PTNGSMBKSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.45
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'}

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Related Compounds

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CID 23288817
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CID 172740654
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ethyl 2-(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-ylidene)acetate
CID 162807730
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl 2-cyclobutylideneacetate
CID 15724666
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CID 101355177
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl (2E)-2-(4-bromo-2,3-dihydroinden-1-ylidene)acetate
CID 125464204
ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
CID 117046633
ethyl 2-(2H-acenaphthylen-1-ylidene)acetate
CID 70179131

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate (CID 102048288) is ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate is CCOC(=O)/C=C1/CCc2ccccc2C[Si]1(C)C.
What is the InChIKey of ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate?
The InChIKey is JFPXZEFFNFEDEY-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-4-18-16(17)11-15-10-9-13-7-5-6-8-14(13)12-19(15,2)3/h5-8,11H,4,9-10,12H2,1-3H3/b15-11-.
What are the key properties of ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate?
ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate has a molecular weight of 274.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate is sourced from PubChem (CID 102048288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).