1-ethoxysilyl-9-hydroxynonan-5-one

C11H24O3Si — CID 123961638

IUPAC1-ethoxysilyl-9-hydroxynonan-5-one
SMILESCCO[SiH2]CCCCC(=O)CCCCO
InChIInChI=1S/C11H24O3Si/c1-2-14-15-10-6-4-8-11(13)7-3-5-9-12/h12H,2-10,15H2,1H3
InChIKeyPWTSULMEFIJEOM-UHFFFAOYSA-N
MW232.40 g/mol
LogP1.43
Rot. Bonds11

About 1-ethoxysilyl-9-hydroxynonan-5-one

1-ethoxysilyl-9-hydroxynonan-5-one (PubChem CID 123961638) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 1-ethoxysilyl-9-hydroxynonan-5-one.

Molecular Properties

Compound Name1-ethoxysilyl-9-hydroxynonan-5-one
PubChem CID123961638
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name1-ethoxysilyl-9-hydroxynonan-5-one
SMILESCCO[SiH2]CCCCC(=O)CCCCO
InChIInChI=1S/C11H24O3Si/c1-2-14-15-10-6-4-8-11(13)7-3-5-9-12/h12H,2-10,15H2,1H3
InChIKeyPWTSULMEFIJEOM-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxydecan-5-one
CID 11658362
1,11-dihydroxyundecan-6-one
CID 14015246
1-hydroxytridecan-7-one
CID 87401341
28-hydroxyoctacosan-7-one
CID 15088059
1-hydroxydotriacontan-15-one
CID 71420958
1-hydroxynonadecan-4-one
CID 91351841
methoxyethane;5-methoxysilylpentan-1-ol
CID 123973970
15-hydroxy-6-oxopentadecanoic acid
CID 154126593
1-hydroxyundecane-3,8-dione
CID 134266398
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
1,9-diethoxynonan-5-one
CID 150666797
9-hydroxy-4-oxononanoic acid
CID 159708655

Frequently Asked Questions

What is the IUPAC name of 1-ethoxysilyl-9-hydroxynonan-5-one?
The IUPAC name of 1-ethoxysilyl-9-hydroxynonan-5-one (CID 123961638) is 1-ethoxysilyl-9-hydroxynonan-5-one.
What is the SMILES notation for 1-ethoxysilyl-9-hydroxynonan-5-one?
The canonical SMILES for 1-ethoxysilyl-9-hydroxynonan-5-one is CCO[SiH2]CCCCC(=O)CCCCO.
What is the InChIKey of 1-ethoxysilyl-9-hydroxynonan-5-one?
The InChIKey is PWTSULMEFIJEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-2-14-15-10-6-4-8-11(13)7-3-5-9-12/h12H,2-10,15H2,1H3.
What are the key properties of 1-ethoxysilyl-9-hydroxynonan-5-one?
1-ethoxysilyl-9-hydroxynonan-5-one has a molecular weight of 232.40 g/mol, XLogP of 1.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxysilyl-9-hydroxynonan-5-one is sourced from PubChem (CID 123961638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).