7-triethylsilyloxyundec-1-en-3-one

C17H34O2Si — CID 163288975

IUPAC7-triethylsilyloxyundec-1-en-3-one
SMILESC=CC(=O)CCCC(CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-6-11-14-17(15-12-13-16(18)7-2)19-20(8-3,9-4)10-5/h7,17H,2,6,8-15H2,1,3-5H3
InChIKeyHHFRNCRMCOCLFA-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds13

About 7-triethylsilyloxyundec-1-en-3-one

7-triethylsilyloxyundec-1-en-3-one (PubChem CID 163288975) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 7-triethylsilyloxyundec-1-en-3-one.

Molecular Properties

Compound Name7-triethylsilyloxyundec-1-en-3-one
PubChem CID163288975
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name7-triethylsilyloxyundec-1-en-3-one
SMILESC=CC(=O)CCCC(CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-6-11-14-17(15-12-13-16(18)7-2)19-20(8-3,9-4)10-5/h7,17H,2,6,8-15H2,1,3-5H3
InChIKeyHHFRNCRMCOCLFA-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-triethylsilyloxyundec-1-en-3-one?
The IUPAC name of 7-triethylsilyloxyundec-1-en-3-one (CID 163288975) is 7-triethylsilyloxyundec-1-en-3-one.
What is the SMILES notation for 7-triethylsilyloxyundec-1-en-3-one?
The canonical SMILES for 7-triethylsilyloxyundec-1-en-3-one is C=CC(=O)CCCC(CCCC)O[Si](CC)(CC)CC.
What is the InChIKey of 7-triethylsilyloxyundec-1-en-3-one?
The InChIKey is HHFRNCRMCOCLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-6-11-14-17(15-12-13-16(18)7-2)19-20(8-3,9-4)10-5/h7,17H,2,6,8-15H2,1,3-5H3.
What are the key properties of 7-triethylsilyloxyundec-1-en-3-one?
7-triethylsilyloxyundec-1-en-3-one has a molecular weight of 298.54 g/mol, XLogP of 5.49, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triethylsilyloxyundec-1-en-3-one is sourced from PubChem (CID 163288975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).