ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate

C17H30O2Si2 — CID 11186348

IUPACethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
SMILESCCOC(=O)/C=C1/C=C([Si](C)(C)C)C=C([Si](C)(C)C)CC1
InChIInChI=1S/C17H30O2Si2/c1-8-19-17(18)12-14-9-10-15(20(2,3)4)13-16(11-14)21(5,6)7/h11-13H,8-10H2,1-7H3/b14-12+
InChIKeyHQLJSQMZCXWOLP-WYMLVPIESA-N
MW322.60 g/mol
LogP4.88
Rot. Bonds4

About ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate

ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate (PubChem CID 11186348) has the molecular formula C17H30O2Si2 and a molecular weight of 322.60 g/mol. Its IUPAC name is ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
PubChem CID11186348
Molecular FormulaC17H30O2Si2
Molecular Weight322.60 g/mol
Exact Mass322.18
IUPAC Nameethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
SMILESCCOC(=O)/C=C1/C=C([Si](C)(C)C)C=C([Si](C)(C)C)CC1
InChIInChI=1S/C17H30O2Si2/c1-8-19-17(18)12-14-9-10-15(20(2,3)4)13-16(11-14)21(5,6)7/h11-13H,8-10H2,1-7H3/b14-12+
InChIKeyHQLJSQMZCXWOLP-WYMLVPIESA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 54.88
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

ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
CID 100915325
ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate
CID 73188801
ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
CID 83854803
ethyl (2E)-2-[3-[(E)-2,5-dimethylhept-4-enyl]cyclopent-2-en-1-ylidene]acetate
CID 21399089
ethyl (2E)-2-(4,4-dimethylcyclohex-2-en-1-ylidene)acetate
CID 23000922
ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate
CID 11513807
ethyl (2Z)-2-[3,5-bis(4-methoxyphenyl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 177408696
ethyl (2E)-2-[3,5-di(cyclohexen-1-yl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 42639984
diethyl (7E)-7-(2-ethoxy-2-oxoethylidene)-1,3,5,6-tetrahydroazulene-2,2-dicarboxylate
CID 102276324
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate (CID 11186348) is ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate is CCOC(=O)/C=C1/C=C([Si](C)(C)C)C=C([Si](C)(C)C)CC1.
What is the InChIKey of ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate?
The InChIKey is HQLJSQMZCXWOLP-WYMLVPIESA-N. The full InChI is InChI=1S/C17H30O2Si2/c1-8-19-17(18)12-14-9-10-15(20(2,3)4)13-16(11-14)21(5,6)7/h11-13H,8-10H2,1-7H3/b14-12+.
What are the key properties of ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate?
ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate has a molecular weight of 322.60 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate is sourced from PubChem (CID 11186348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).