ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate

C16H26O3Si — CID 135002117

IUPACethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate
SMILESCCOC(=O)/C=C1/C=C(COC)C=C([Si](C)(C)C)CC1
InChIInChI=1S/C16H26O3Si/c1-6-19-16(17)11-13-7-8-15(20(3,4)5)10-14(9-13)12-18-2/h9-11H,6-8,12H2,1-5H3/b13-11+
InChIKeySUKSDQDGSHJUMF-ACCUITESSA-N
MW294.47 g/mol
LogP3.65
Rot. Bonds5

About ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate

ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate (PubChem CID 135002117) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate
PubChem CID135002117
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Nameethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate
SMILESCCOC(=O)/C=C1/C=C(COC)C=C([Si](C)(C)C)CC1
InChIInChI=1S/C16H26O3Si/c1-6-19-16(17)11-13-7-8-15(20(3,4)5)10-14(9-13)12-18-2/h9-11H,6-8,12H2,1-5H3/b13-11+
InChIKeySUKSDQDGSHJUMF-ACCUITESSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(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
ethyl(2E,4E,6E)-3,7,11-trimethyl-2,4,6,10-dodecatetraenoate
CID 6370567
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11150309
ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 11186348
ethyl (2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienoate
CID 24881280
ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate
CID 42636867
CID 86153059
CID 86153059
prop-2-enyl (2E,4E,6E)-9-[tert-butyl(dimethyl)silyl]oxynona-2,4,6-trienoate
CID 101424838
ethyl (2E)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate
CID 102186021
ethyl (2E)-2-(3-hexyl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate
CID 102186023
ethyl (2E)-2-[3-(2-hydroxypropan-2-yl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate
CID 102186028

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate (CID 135002117) is ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate is CCOC(=O)/C=C1/C=C(COC)C=C([Si](C)(C)C)CC1.
What is the InChIKey of ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate?
The InChIKey is SUKSDQDGSHJUMF-ACCUITESSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-6-19-16(17)11-13-7-8-15(20(3,4)5)10-14(9-13)12-18-2/h9-11H,6-8,12H2,1-5H3/b13-11+.
What are the key properties of ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate?
ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate has a molecular weight of 294.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[3-(methoxymethyl)-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene]acetate is sourced from PubChem (CID 135002117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).