8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one

C10H20O3Si — CID 173063819

IUPAC8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one
SMILESC=C(C)C(=O)CCCC(COC)O[SiH3]
InChIInChI=1S/C10H20O3Si/c1-8(2)10(11)6-4-5-9(13-14)7-12-3/h9H,1,4-7H2,2-3,14H3
InChIKeyWIDZRRAFWMJYHS-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.61
Rot. Bonds8

About 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one

8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one (PubChem CID 173063819) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one.

Molecular Properties

Compound Name8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one
PubChem CID173063819
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one
SMILESC=C(C)C(=O)CCCC(COC)O[SiH3]
InChIInChI=1S/C10H20O3Si/c1-8(2)10(11)6-4-5-9(13-14)7-12-3/h9H,1,4-7H2,2-3,14H3
InChIKeyWIDZRRAFWMJYHS-UHFFFAOYSA-N
XLogP0.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one?
The IUPAC name of 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one (CID 173063819) is 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one.
What is the SMILES notation for 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one?
The canonical SMILES for 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one is C=C(C)C(=O)CCCC(COC)O[SiH3].
What is the InChIKey of 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one?
The InChIKey is WIDZRRAFWMJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-8(2)10(11)6-4-5-9(13-14)7-12-3/h9H,1,4-7H2,2-3,14H3.
What are the key properties of 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one?
8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one has a molecular weight of 216.35 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-7-silyloxyoct-1-en-3-one is sourced from PubChem (CID 173063819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).