methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate

C30H60O3Si — CID 91696329

IUPACmethyl (Z)-2-trimethylsilyloxyhexacos-19-enoate
SMILESCCCCCC/C=C\CCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C30H60O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30(31)32-2)33-34(3,4)5/h11-12,29H,6-10,13-28H2,1-5H3/b12-11-
InChIKeyIJPMZBATKVAZDV-QXMHVHEDSA-N
MW496.89 g/mol
LogP10.15
Rot. Bonds25

About methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate

methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate (PubChem CID 91696329) has the molecular formula C30H60O3Si and a molecular weight of 496.89 g/mol. Its IUPAC name is methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-trimethylsilyloxyhexacos-19-enoate
PubChem CID91696329
Molecular FormulaC30H60O3Si
Molecular Weight496.89 g/mol
Exact Mass496.43
IUPAC Namemethyl (Z)-2-trimethylsilyloxyhexacos-19-enoate
SMILESCCCCCC/C=C\CCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C30H60O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30(31)32-2)33-34(3,4)5/h11-12,29H,6-10,13-28H2,1-5H3/b12-11-
InChIKeyIJPMZBATKVAZDV-QXMHVHEDSA-N
XLogP10.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.89
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Sodium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl oleate
CID 23684574
1-butoxypropan-2-yl (Z)-octadec-9-enoate
CID 6435864
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
1-Monooleoylglycerol trimethylsilyl ether
CID 5366386
9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 5366530
Methyl (6z)-2-methoxy-6-hexadecenoate
CID 11822655
(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

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate?
The IUPAC name of methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate (CID 91696329) is methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate.
What is the SMILES notation for methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate?
The canonical SMILES for methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate is CCCCCC/C=C\CCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate?
The InChIKey is IJPMZBATKVAZDV-QXMHVHEDSA-N. The full InChI is InChI=1S/C30H60O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30(31)32-2)33-34(3,4)5/h11-12,29H,6-10,13-28H2,1-5H3/b12-11-.
What are the key properties of methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate?
methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate has a molecular weight of 496.89 g/mol, XLogP of 10.15, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-trimethylsilyloxyhexacos-19-enoate is sourced from PubChem (CID 91696329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).