ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate

C17H32O2Si2 — CID 10381636

IUPACethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C17H32O2Si2/c1-8-19-17(18)16(15-21(5,6)7)13-11-9-10-12-14-20(2,3)4/h15H,8-11,13H2,1-7H3/b16-15+
InChIKeyFODBTXHWTIEAAN-FOCLMDBBSA-N
MW324.61 g/mol
LogP4.79
Rot. Bonds7

About ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate

ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate (PubChem CID 10381636) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate.

Molecular Properties

Compound Nameethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate
PubChem CID10381636
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Nameethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C17H32O2Si2/c1-8-19-17(18)16(15-21(5,6)7)13-11-9-10-12-14-20(2,3)4/h15H,8-11,13H2,1-7H3/b16-15+
InChIKeyFODBTXHWTIEAAN-FOCLMDBBSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

Ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate
CID 139252746
15-Isopropenyl-3-(trimethylsilyl)oxacyclopentadecan-2-one
CID 552374
butyl (2E)-2-(trimethylsilylmethylidene)hexanoate
CID 10038060
diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
CID 10431005
2-[Chloro(dimethyl)silyl]ethyl 2-methylideneoctanoate
CID 139621792
3-[Chloro(dimethyl)silyl]propyl 2-methylideneoctanoate
CID 139621811
Ethyl 2-[2-[tert-butyl(dimethyl)silyl]ethenylidene]heptanoate
CID 10063180
ethyl (2E)-2-[[tert-butyl(dimethyl)silyl]methylidene]hexanoate
CID 10265179
methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate
CID 10577703
2-Trimethylsilylethyl 2-prop-1-enylidenenonanoate
CID 10661666
ethyl (2E)-2-(trimethylsilylmethylidene)decanoate
CID 10968059
But-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate
CID 11559633

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate?
The IUPAC name of ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate (CID 10381636) is ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate.
What is the SMILES notation for ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate?
The canonical SMILES for ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate is CCOC(=O)/C(=C/[Si](C)(C)C)CCCCC#C[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate?
The InChIKey is FODBTXHWTIEAAN-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-8-19-17(18)16(15-21(5,6)7)13-11-9-10-12-14-20(2,3)4/h15H,8-11,13H2,1-7H3/b16-15+.
What are the key properties of ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate?
ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate has a molecular weight of 324.61 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate is sourced from PubChem (CID 10381636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).