ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate

C17H26O2Si — CID 42636867

IUPACethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate
SMILESC=C(C)C1=C/C(=C/C(=O)OCC)CCC([Si](C)(C)C)=C1
InChIInChI=1S/C17H26O2Si/c1-7-19-17(18)11-14-8-9-16(20(4,5)6)12-15(10-14)13(2)3/h10-12H,2,7-9H2,1,3-6H3/b14-11+
InChIKeyYUTZOCYFAPNDFZ-SDNWHVSQSA-N
MW290.48 g/mol
LogP4.58
Rot. Bonds4

About ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate

ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate (PubChem CID 42636867) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate
PubChem CID42636867
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Nameethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate
SMILESC=C(C)C1=C/C(=C/C(=O)OCC)CCC([Si](C)(C)C)=C1
InChIInChI=1S/C17H26O2Si/c1-7-19-17(18)11-14-8-9-16(20(4,5)6)12-15(10-14)13(2)3/h10-12H,2,7-9H2,1,3-6H3/b14-11+
InChIKeyYUTZOCYFAPNDFZ-SDNWHVSQSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.58
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'}

Analyze ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate with MolForge

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Related Compounds

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
ethyl(2E,4E,6E)-3,7,11-trimethyl-2,4,6,10-dodecatetraenoate
CID 6370567
Ethyl 5,9,13-trimethyltetradeca-2,4,8,12-tetraenoate
CID 54454310
ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 11186348
ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
CID 14617533
ethyl (2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienoate
CID 24881280
CID 86153059
CID 86153059
ethyl (2E,4E)-3-methylnona-2,4-dienoate
CID 92039246
methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
CID 101207969
prop-2-enyl (2E,4E,6E)-9-[tert-butyl(dimethyl)silyl]oxynona-2,4,6-trienoate
CID 101424838

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate (CID 42636867) is ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate is C=C(C)C1=C/C(=C/C(=O)OCC)CCC([Si](C)(C)C)=C1.
What is the InChIKey of ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate?
The InChIKey is YUTZOCYFAPNDFZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-7-19-17(18)11-14-8-9-16(20(4,5)6)12-15(10-14)13(2)3/h10-12H,2,7-9H2,1,3-6H3/b14-11+.
What are the key properties of ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate?
ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate has a molecular weight of 290.48 g/mol, XLogP of 4.58, 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-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate is sourced from PubChem (CID 42636867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).