(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one

C15H30O3Si — CID 53304464

IUPAC(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one
SMILESCC(=O)CC(O)CCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(16)12-14(17)10-8-7-9-11-18-19(5,6)15(2,3)4/h9,11,14,17H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyFSDCOPYJPXKFTQ-PKNBQFBNSA-N
MW286.49 g/mol
LogP4.03
Rot. Bonds8

About (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one

(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one (PubChem CID 53304464) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one.

Molecular Properties

Compound Name(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one
PubChem CID53304464
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one
SMILESCC(=O)CC(O)CCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(16)12-14(17)10-8-7-9-11-18-19(5,6)15(2,3)4/h9,11,14,17H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyFSDCOPYJPXKFTQ-PKNBQFBNSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
6-Hydroxydec-1-en-4-one
CID 57193020
(E)-7-[diethyl(prop-1-en-2-yl)silyl]oxy-10-hydroxydec-9-en-2-one
CID 140328619
4-[Tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one
CID 10377729
1-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one
CID 11012045
(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one
CID 42599910
(E)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxynon-8-en-2-one
CID 101791723

Frequently Asked Questions

What is the IUPAC name of (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one?
The IUPAC name of (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one (CID 53304464) is (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one.
What is the SMILES notation for (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one?
The canonical SMILES for (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one is CC(=O)CC(O)CCC/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one?
The InChIKey is FSDCOPYJPXKFTQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-13(16)12-14(17)10-8-7-9-11-18-19(5,6)15(2,3)4/h9,11,14,17H,7-8,10,12H2,1-6H3/b11-9+.
What are the key properties of (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one?
(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one has a molecular weight of 286.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one is sourced from PubChem (CID 53304464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).