ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate

C15H30O3Si — CID 11208427

IUPACethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate
SMILESC=C(C)C(CCC(C)CC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-17-15(16)11-13(4)9-10-14(12(2)3)18-19(5,6)7/h13-14H,2,8-11H2,1,3-7H3
InChIKeyIXGQDLWVUVOUNN-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds9

About ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate

ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate (PubChem CID 11208427) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate.

Molecular Properties

Compound Nameethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate
PubChem CID11208427
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate
SMILESC=C(C)C(CCC(C)CC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-17-15(16)11-13(4)9-10-14(12(2)3)18-19(5,6)7/h13-14H,2,8-11H2,1,3-7H3
InChIKeyIXGQDLWVUVOUNN-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
CID 13265454
ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
CID 138979451
cis-(13R,14S)-13,14-dimethyl-11-methylidene-oxacyclotetradecan-2-one
CID 10586941
cis-(15R,16S)-15,16-dimethyl-13-methylidene-oxacyclohexadecan-2-one
CID 10660421
Propan-2-yl 2-ethyloct-7-enoate
CID 17825103
Diethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylideneheptyl]propanedioate
CID 19904720
3-Methylene-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester
CID 59733752
(8-Hexyl-10-methylidenehenicosan-7-yl) dodecanoate
CID 88553036
(5-Methylidene-3-undecylhexadecan-2-yl) dodecanoate
CID 89133543
(4-Decyl-6-methylideneheptadecan-3-yl) dodecanoate
CID 89133545
Butan-2-yl 2,6-dimethylhept-6-enoate
CID 144977625
tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate
CID 10764187

Frequently Asked Questions

What is the IUPAC name of ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate?
The IUPAC name of ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate (CID 11208427) is ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate.
What is the SMILES notation for ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate?
The canonical SMILES for ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate is C=C(C)C(CCC(C)CC(=O)OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate?
The InChIKey is IXGQDLWVUVOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-17-15(16)11-13(4)9-10-14(12(2)3)18-19(5,6)7/h13-14H,2,8-11H2,1,3-7H3.
What are the key properties of ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate?
ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,7-dimethyl-6-trimethylsilyloxyoct-7-enoate is sourced from PubChem (CID 11208427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).