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

C15H28O3Si — CID 155908216

IUPAC(3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate
SMILESCC(=O)OCC(O[Si](C)(C)C)C(C)=CCC=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
InChIKeyUMXASTJSQGQEKV-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds7

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

(3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate (PubChem CID 155908216) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate.

Molecular Properties

Compound Name(3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate
PubChem CID155908216
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate
SMILESCC(=O)OCC(O[Si](C)(C)C)C(C)=CCC=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
InChIKeyUMXASTJSQGQEKV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate?
The IUPAC name of (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate (CID 155908216) is (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate.
What is the SMILES notation for (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate?
The canonical SMILES for (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate is CC(=O)OCC(O[Si](C)(C)C)C(C)=CCC=C(C)C.
What is the InChIKey of (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate?
The InChIKey is UMXASTJSQGQEKV-UHFFFAOYSA-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.
What are the key properties of (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate?
(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 (3,7-dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate is sourced from PubChem (CID 155908216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).