[(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate

C15H28O3Si — CID 12624050

IUPAC[(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate
SMILESCC(=O)OCC(O[Si](C)(C)C)/C(C)=C/CC=C(C)C
InChIInChI=1S/C15H28O3Si/c1-12(2)9-8-10-13(3)15(11-17-14(4)16)18-19(5,6)7/h9-10,15H,8,11H2,1-7H3/b13-10+
InChIKeyUMXASTJSQGQEKV-JLHYYAGUSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds7

About [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate

[(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate (PubChem CID 12624050) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate.

Molecular Properties

Compound Name[(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate
PubChem CID12624050
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate
SMILESCC(=O)OCC(O[Si](C)(C)C)/C(C)=C/CC=C(C)C
InChIInChI=1S/C15H28O3Si/c1-12(2)9-8-10-13(3)15(11-17-14(4)16)18-19(5,6)7/h9-10,15H,8,11H2,1-7H3/b13-10+
InChIKeyUMXASTJSQGQEKV-JLHYYAGUSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.07
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

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
(3,7-Dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate
CID 155908216
methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 21348812
Methyl 2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 73782471
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one
CID 10706253
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 11961757
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 14197354
Methyl 2,2,5,6-tetramethyl-3,6-dihydrooxasiline-3-carboxylate
CID 100965124
[(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate
CID 101012248
[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-5-en-3-yl] acetate
CID 101843191
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one
CID 102466765
[(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 102573503

Frequently Asked Questions

What is the IUPAC name of [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate?
The IUPAC name of [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate (CID 12624050) is [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate.
What is the SMILES notation for [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate?
The canonical SMILES for [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate is CC(=O)OCC(O[Si](C)(C)C)/C(C)=C/CC=C(C)C.
What is the InChIKey of [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate?
The InChIKey is UMXASTJSQGQEKV-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12(2)9-8-10-13(3)15(11-17-14(4)16)18-19(5,6)7/h9-10,15H,8,11H2,1-7H3/b13-10+.
What are the key properties of [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate?
[(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate has a molecular weight of 284.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl] acetate is sourced from PubChem (CID 12624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).