ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate

C20H38O4Si — CID 10384557

IUPACethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C20H38O4Si/c1-5-22-20(21)18(17-25(2,3)4)13-9-7-6-8-11-15-23-19-14-10-12-16-24-19/h13,19H,5-12,14-17H2,1-4H3/b18-13+
InChIKeyYJVBAAZAEYSEHN-QGOAFFKASA-N
MW370.61 g/mol
LogP5.31
Rot. Bonds12

About ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate

ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate (PubChem CID 10384557) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate
PubChem CID10384557
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Nameethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C20H38O4Si/c1-5-22-20(21)18(17-25(2,3)4)13-9-7-6-8-11-15-23-19-14-10-12-16-24-19/h13,19H,5-12,14-17H2,1-4H3/b18-13+
InChIKeyYJVBAAZAEYSEHN-QGOAFFKASA-N
XLogP5.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

ethyl (2Z)-2-[(2S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloxan-3-ylidene]acetate
CID 44351147
ethyl (Z)-8-(oxan-2-yloxy)-2-(trimethylsilylmethyl)oct-2-enoate
CID 13773629
(2E,5S,7S,8E,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946978
(2E,5S,7S,8Z,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946986
ethyl (2Z,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
CID 134832778
ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
CID 134832779
ethyl (Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enoate
CID 9979087
ethyl (Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 9982100
ethyl (2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trienoate
CID 15726403
[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate
CID 177422864
[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 177429881
[(Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enyl] acetate
CID 177516996

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate?
The IUPAC name of ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate (CID 10384557) is ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate.
What is the SMILES notation for ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate?
The canonical SMILES for ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate is CCOC(=O)/C(=C/CCCCCCOC1CCCCO1)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate?
The InChIKey is YJVBAAZAEYSEHN-QGOAFFKASA-N. The full InChI is InChI=1S/C20H38O4Si/c1-5-22-20(21)18(17-25(2,3)4)13-9-7-6-8-11-15-23-19-14-10-12-16-24-19/h13,19H,5-12,14-17H2,1-4H3/b18-13+.
What are the key properties of ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate?
ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate has a molecular weight of 370.61 g/mol, XLogP of 5.31, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate is sourced from PubChem (CID 10384557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).