ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate

C15H28O2Si — CID 14617533

IUPACethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
SMILESCCOC(=O)/C=C/CCC/C=C\CC[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-5-17-15(16)13-11-9-7-6-8-10-12-14-18(2,3)4/h8,10-11,13H,5-7,9,12,14H2,1-4H3/b10-8-,13-11+
InChIKeyJKJKOPFIHHORRY-NGIPKDTLSA-N
MW268.47 g/mol
LogP4.56
Rot. Bonds9

About ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate

ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate (PubChem CID 14617533) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate.

Molecular Properties

Compound Nameethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
PubChem CID14617533
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nameethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
SMILESCCOC(=O)/C=C/CCC/C=C\CC[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-5-17-15(16)13-11-9-7-6-8-10-12-14-18(2,3)4/h8,10-11,13H,5-7,9,12,14H2,1-4H3/b10-8-,13-11+
InChIKeyJKJKOPFIHHORRY-NGIPKDTLSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.56
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl (E)-2-heptenoate
CID 5358363
Ethyl trans-2-hexenoate
CID 5364778
3-Hexenyl 2-hexenoate, (3Z,2E)-
CID 5367679
Ethyl 2-octenoate, (2E)-
CID 5364399
Butyl oct-2-enoate
CID 93661
Butyl hex-2-enoate
CID 575426
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
Ethyl hex-2-enoate
CID 519129
Ethyl (3Z)-hexenoate
CID 12349896
Ethyl (2Z)-oct-2-enoate
CID 5352768
Ethyl (E)-2-octenoate
CID 23832
Allyl hexenoate
CID 11812127

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate?
The IUPAC name of ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate (CID 14617533) is ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate.
What is the SMILES notation for ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate?
The canonical SMILES for ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate is CCOC(=O)/C=C/CCC/C=C\CC[Si](C)(C)C.
What is the InChIKey of ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate?
The InChIKey is JKJKOPFIHHORRY-NGIPKDTLSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-5-17-15(16)13-11-9-7-6-8-10-12-14-18(2,3)4/h8,10-11,13H,5-7,9,12,14H2,1-4H3/b10-8-,13-11+.
What are the key properties of ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate?
ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate has a molecular weight of 268.47 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate is sourced from PubChem (CID 14617533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).