1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one

C16H32O2Si — CID 59412255

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one
SMILESC=CCCCC(=O)C(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-10-11-15(17)14(2)12-13-18-19(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyQDYFGZCQRUQSSQ-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.96
Rot. Bonds9

About 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one

1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one (PubChem CID 59412255) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one
PubChem CID59412255
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one
SMILESC=CCCCC(=O)C(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-10-11-15(17)14(2)12-13-18-19(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyQDYFGZCQRUQSSQ-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one (CID 59412255) is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one is C=CCCCC(=O)C(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one?
The InChIKey is QDYFGZCQRUQSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-9-10-11-15(17)14(2)12-13-18-19(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one has a molecular weight of 284.52 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one is sourced from PubChem (CID 59412255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).