[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate

C15H30O3Si — CID 10913149

IUPAC[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate
SMILESCC(=O)OCC/C=C\CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7-8H,9-13H2,1-6H3/b8-7-
InChIKeyHSAMGZJZCJHAPP-FPLPWBNLSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds8

About [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate

[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate (PubChem CID 10913149) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate.

Molecular Properties

Compound Name[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate
PubChem CID10913149
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate
SMILESCC(=O)OCC/C=C\CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7-8H,9-13H2,1-6H3/b8-7-
InChIKeyHSAMGZJZCJHAPP-FPLPWBNLSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate?
The IUPAC name of [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate (CID 10913149) is [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate.
What is the SMILES notation for [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate?
The canonical SMILES for [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate is CC(=O)OCC/C=C\CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate?
The InChIKey is HSAMGZJZCJHAPP-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7-8H,9-13H2,1-6H3/b8-7-.
What are the key properties of [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate?
[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-enyl] acetate is sourced from PubChem (CID 10913149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).