methyl 4-oxo-6-trimethylsilylhex-5-ynoate

C10H16O3Si — CID 10656191

IUPACmethyl 4-oxo-6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16O3Si/c1-13-10(12)6-5-9(11)7-8-14(2,3)4/h5-6H2,1-4H3
InChIKeyFORPZPRMQFFKAV-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.39
Rot. Bonds3

About methyl 4-oxo-6-trimethylsilylhex-5-ynoate

methyl 4-oxo-6-trimethylsilylhex-5-ynoate (PubChem CID 10656191) has the molecular formula C10H16O3Si and a molecular weight of 212.32 g/mol. Its IUPAC name is methyl 4-oxo-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Namemethyl 4-oxo-6-trimethylsilylhex-5-ynoate
PubChem CID10656191
Molecular FormulaC10H16O3Si
Molecular Weight212.32 g/mol
Exact Mass212.09
IUPAC Namemethyl 4-oxo-6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16O3Si/c1-13-10(12)6-5-9(11)7-8-14(2,3)4/h5-6H2,1-4H3
InChIKeyFORPZPRMQFFKAV-UHFFFAOYSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6-trimethylsilylhex-5-ynoate?
The IUPAC name of methyl 4-oxo-6-trimethylsilylhex-5-ynoate (CID 10656191) is methyl 4-oxo-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for methyl 4-oxo-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for methyl 4-oxo-6-trimethylsilylhex-5-ynoate is COC(=O)CCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of methyl 4-oxo-6-trimethylsilylhex-5-ynoate?
The InChIKey is FORPZPRMQFFKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3Si/c1-13-10(12)6-5-9(11)7-8-14(2,3)4/h5-6H2,1-4H3.
What are the key properties of methyl 4-oxo-6-trimethylsilylhex-5-ynoate?
methyl 4-oxo-6-trimethylsilylhex-5-ynoate has a molecular weight of 212.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 10656191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).