methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate

C17H34O2Si — CID 154720226

IUPACmethyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/CCCCC)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-9-11-13-15(14-12-10-8-2)16(17(18)19-3)20(4,5)6/h13,16H,7-12,14H2,1-6H3/b15-13-
InChIKeyQPTDTYFGBKWRLE-SQFISAMPSA-N
MW298.54 g/mol
LogP5.56
Rot. Bonds10

About methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate

methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate (PubChem CID 154720226) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate
PubChem CID154720226
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Namemethyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/CCCCC)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-9-11-13-15(14-12-10-8-2)16(17(18)19-3)20(4,5)6/h13,16H,7-12,14H2,1-6H3/b15-13-
InChIKeyQPTDTYFGBKWRLE-SQFISAMPSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.56
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'}

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Related Compounds

Oleic acid, trimethylsilyl ester
CID 5366433
Linoleic acid trimethylsilyl ester
CID 5352430
Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
CID 5366426
Trimethylsilyl (9E)-9-octadecenoate
CID 5352431
Palmitoleic acid trimethylsilyl ester
CID 5352900
tert-Butyldimethylsilyl oleate
CID 71571457
Methyl 11-metyloctadec-11-enoate
CID 129724998
6-Hexadecenoic acid, 7-methyl,methyl ester (Z)
CID 5364813
Methyl (e)-12-methyl-11-pentadecenoate
CID 20390512
Methyl 10-methylundec-9-enoate
CID 118884345
3-Methyl-3-butenyl oleate
CID 129720818
Tms-oleic acid
CID 129726792

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate?
The IUPAC name of methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate (CID 154720226) is methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate.
What is the SMILES notation for methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate?
The canonical SMILES for methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate is CCCC/C=C(/CCCCC)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate?
The InChIKey is QPTDTYFGBKWRLE-SQFISAMPSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-9-11-13-15(14-12-10-8-2)16(17(18)19-3)20(4,5)6/h13,16H,7-12,14H2,1-6H3/b15-13-.
What are the key properties of methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate?
methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate has a molecular weight of 298.54 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate is sourced from PubChem (CID 154720226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).