methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate

C11H20O3Si — CID 14342991

IUPACmethyl 5-hydroxy-7-trimethylsilylhept-6-ynoate
SMILESCOC(=O)CCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyAVVDAAYSROSUMF-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.57
Rot. Bonds4

About methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate

methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate (PubChem CID 14342991) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-7-trimethylsilylhept-6-ynoate
PubChem CID14342991
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl 5-hydroxy-7-trimethylsilylhept-6-ynoate
SMILESCOC(=O)CCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyAVVDAAYSROSUMF-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
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 5-hydroxy-7-trimethylsilylhept-6-ynoate?
The IUPAC name of methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate (CID 14342991) is methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate.
What is the SMILES notation for methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate?
The canonical SMILES for methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate is COC(=O)CCCC(O)C#C[Si](C)(C)C.
What is the InChIKey of methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate?
The InChIKey is AVVDAAYSROSUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h10,12H,5-7H2,1-4H3.
What are the key properties of methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate?
methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate has a molecular weight of 228.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-7-trimethylsilylhept-6-ynoate is sourced from PubChem (CID 14342991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).