methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate

C25H50O5Si2 — CID 5376673

IUPACmethyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate
SMILESCCC1CCC(C(C/C=C\CC(CCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C25H50O5Si2/c1-9-21-19-20-23(28-21)24(30-32(6,7)8)17-14-13-16-22(29-31(3,4)5)15-11-10-12-18-25(26)27-2/h13-14,21-24H,9-12,15-20H2,1-8H3/b14-13-
InChIKeyHRUQWBXURLIKED-YPKPFQOOSA-N
MW486.84 g/mol
LogP6.84
Rot. Bonds16

About methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate

methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate (PubChem CID 5376673) has the molecular formula C25H50O5Si2 and a molecular weight of 486.84 g/mol. Its IUPAC name is methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate
PubChem CID5376673
Molecular FormulaC25H50O5Si2
Molecular Weight486.84 g/mol
Exact Mass486.32
IUPAC Namemethyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate
SMILESCCC1CCC(C(C/C=C\CC(CCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C25H50O5Si2/c1-9-21-19-20-23(28-21)24(30-32(6,7)8)17-14-13-16-22(29-31(3,4)5)15-11-10-12-18-25(26)27-2/h13-14,21-24H,9-12,15-20H2,1-8H3/b14-13-
InChIKeyHRUQWBXURLIKED-YPKPFQOOSA-N
XLogP6.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

Tetrahydrofurfuryl oleate
CID 5354270
2-Methoxyethyl (9Z,12R)-12-(acetyloxy)-9-octadecenoate
CID 5354167
Tetrahydrofurfuryl 9-octadecenoate
CID 6278622
1-Monooleoylglycerol trimethylsilyl ether
CID 5366386
9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 5366530
(z,z,z)9,12,15-Octadecatrienoic acid 2,3-bis[(trimethylsilyl)oxy]propyl ester
CID 21160049
Methyl 9,12,13-tris-(trimethylsilyloxy)-10-octadecenoate
CID 85854561
9,12,15-Octadecatrienoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester, (Z,Z,Z)-
CID 5362857
9,12,15-Octadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)-
CID 5366384
2,3-Bis[(trimethylsilyl)oxy]propyl (9Z,12Z)-9,12-octadecadienoate
CID 5366692
2-Monolinoleoylglycerol trimethylsilyl ether
CID 5377604
(9Z,12Z,15Z)-2,2,8,8-Tetramethyl-3,7-dioxa-2,8-disilanonan-5-yl octadeca-9,12,15-trienoate
CID 21159708

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate?
The IUPAC name of methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate (CID 5376673) is methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate.
What is the SMILES notation for methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate?
The canonical SMILES for methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate is CCC1CCC(C(C/C=C\CC(CCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C)O1.
What is the InChIKey of methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate?
The InChIKey is HRUQWBXURLIKED-YPKPFQOOSA-N. The full InChI is InChI=1S/C25H50O5Si2/c1-9-21-19-20-23(28-21)24(30-32(6,7)8)17-14-13-16-22(29-31(3,4)5)15-11-10-12-18-25(26)27-2/h13-14,21-24H,9-12,15-20H2,1-8H3/b14-13-.
What are the key properties of methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate?
methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate has a molecular weight of 486.84 g/mol, XLogP of 6.84, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-12-(5-ethyloxolan-2-yl)-7,12-bis(trimethylsilyloxy)dodec-9-enoate is sourced from PubChem (CID 5376673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).