methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate

C15H30O3Si — CID 100916416

IUPACmethyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate
SMILESCCCCCC(/C=C/O[Si](C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-7-8-9-10-14(13(2)15(16)17-3)11-12-18-19(4,5)6/h11-14H,7-10H2,1-6H3/b12-11+
InChIKeyXXJNWHQHIGUPJI-VAWYXSNFSA-N
MW286.49 g/mol
LogP4.36
Rot. Bonds9

About methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate

methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate (PubChem CID 100916416) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate
PubChem CID100916416
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate
SMILESCCCCCC(/C=C/O[Si](C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-7-8-9-10-14(13(2)15(16)17-3)11-12-18-19(4,5)6/h11-14H,7-10H2,1-6H3/b12-11+
InChIKeyXXJNWHQHIGUPJI-VAWYXSNFSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9-Decenoic acid, 2,4-dimethyl-, methyl ester, (2S,4R)-(+)-
CID 560343
9-Decenoic acid, 2,4-dimethyl-, methyl ester, (R,R)-(-)-
CID 22214889
ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
CID 13265454
Ethyl 3-ethenylundecanoate
CID 13683590
(4R)-4-hexyl-3,4-dihydropyran-2-one
CID 102448096
methyl (1R)-2-ethenylcyclononane-1-carboxylate
CID 134859104
Ethyl 3-ethenyl-2-methylundecanoate
CID 134916271
Ethyl 2-ethyldodec-11-enoate
CID 134916533
Methyl 2-propyldec-9-enoate
CID 17824914
Ethyl 2-ethylundec-10-enoate
CID 17824918
Methyl 2-ethyldec-9-enoate
CID 17824926
Ethyl 2-propylundec-10-enoate
CID 17824939

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The IUPAC name of methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate (CID 100916416) is methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate.
What is the SMILES notation for methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The canonical SMILES for methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate is CCCCCC(/C=C/O[Si](C)(C)C)C(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The InChIKey is XXJNWHQHIGUPJI-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-8-9-10-14(13(2)15(16)17-3)11-12-18-19(4,5)6/h11-14H,7-10H2,1-6H3/b12-11+.
What are the key properties of methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate has a molecular weight of 286.49 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate is sourced from PubChem (CID 100916416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).