7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate

C18H36O3Si — CID 42603702

IUPAC7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate
SMILESC=CCC(CCCCCCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-8-13-17(21-22(6,7)18(3,4)5)14-11-9-10-12-15-20-16(2)19/h8,17H,1,9-15H2,2-7H3
InChIKeyXGGXPVAVSBMJCK-UHFFFAOYSA-N
MW328.57 g/mol
LogP5.47
Rot. Bonds11

About 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate

7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate (PubChem CID 42603702) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate
PubChem CID42603702
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate
SMILESC=CCC(CCCCCCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-8-13-17(21-22(6,7)18(3,4)5)14-11-9-10-12-15-20-16(2)19/h8,17H,1,9-15H2,2-7H3
InChIKeyXGGXPVAVSBMJCK-UHFFFAOYSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.47
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 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate (CID 42603702) is 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate is C=CCC(CCCCCCOC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate?
The InChIKey is XGGXPVAVSBMJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-8-13-17(21-22(6,7)18(3,4)5)14-11-9-10-12-15-20-16(2)19/h8,17H,1,9-15H2,2-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate?
7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate has a molecular weight of 328.57 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl acetate is sourced from PubChem (CID 42603702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).