methyl (Z)-2-trimethylsilyloxytetracos-9-enoate

C28H56O3Si — CID 5352164

IUPACmethyl (Z)-2-trimethylsilyloxytetracos-9-enoate
SMILESCCCCCCCCCCCCCC/C=C\CCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C28H56O3Si/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)30-2)31-32(3,4)5/h19-20,27H,6-18,21-26H2,1-5H3/b20-19-
InChIKeyYDZFAAFVYUVUCB-VXPUYCOJSA-N
MW468.84 g/mol
LogP9.37
Rot. Bonds23

About methyl (Z)-2-trimethylsilyloxytetracos-9-enoate

methyl (Z)-2-trimethylsilyloxytetracos-9-enoate (PubChem CID 5352164) has the molecular formula C28H56O3Si and a molecular weight of 468.84 g/mol. Its IUPAC name is methyl (Z)-2-trimethylsilyloxytetracos-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-trimethylsilyloxytetracos-9-enoate
PubChem CID5352164
Molecular FormulaC28H56O3Si
Molecular Weight468.84 g/mol
Exact Mass468.40
IUPAC Namemethyl (Z)-2-trimethylsilyloxytetracos-9-enoate
SMILESCCCCCCCCCCCCCC/C=C\CCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C28H56O3Si/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)30-2)31-32(3,4)5/h19-20,27H,6-18,21-26H2,1-5H3/b20-19-
InChIKeyYDZFAAFVYUVUCB-VXPUYCOJSA-N
XLogP9.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.84
LogP ≤ 59.37
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-trimethylsilyloxytetracos-9-enoate?
The IUPAC name of methyl (Z)-2-trimethylsilyloxytetracos-9-enoate (CID 5352164) is methyl (Z)-2-trimethylsilyloxytetracos-9-enoate.
What is the SMILES notation for methyl (Z)-2-trimethylsilyloxytetracos-9-enoate?
The canonical SMILES for methyl (Z)-2-trimethylsilyloxytetracos-9-enoate is CCCCCCCCCCCCCC/C=C\CCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-trimethylsilyloxytetracos-9-enoate?
The InChIKey is YDZFAAFVYUVUCB-VXPUYCOJSA-N. The full InChI is InChI=1S/C28H56O3Si/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)30-2)31-32(3,4)5/h19-20,27H,6-18,21-26H2,1-5H3/b20-19-.
What are the key properties of methyl (Z)-2-trimethylsilyloxytetracos-9-enoate?
methyl (Z)-2-trimethylsilyloxytetracos-9-enoate has a molecular weight of 468.84 g/mol, XLogP of 9.37, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-trimethylsilyloxytetracos-9-enoate is sourced from PubChem (CID 5352164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).