5-hydroxy-7-trimethylsilylhept-6-ynoic acid

C10H18O3Si — CID 19074962

IUPAC5-hydroxy-7-trimethylsilylhept-6-ynoic acid
SMILESC[Si](C)(C)C#CC(O)CCCC(=O)O
InChIInChI=1S/C10H18O3Si/c1-14(2,3)8-7-9(11)5-4-6-10(12)13/h9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyJBNBLYAPAXJSCW-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.48
Rot. Bonds4

About 5-hydroxy-7-trimethylsilylhept-6-ynoic acid

5-hydroxy-7-trimethylsilylhept-6-ynoic acid (PubChem CID 19074962) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-hydroxy-7-trimethylsilylhept-6-ynoic acid.

Molecular Properties

Compound Name5-hydroxy-7-trimethylsilylhept-6-ynoic acid
PubChem CID19074962
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name5-hydroxy-7-trimethylsilylhept-6-ynoic acid
SMILESC[Si](C)(C)C#CC(O)CCCC(=O)O
InChIInChI=1S/C10H18O3Si/c1-14(2,3)8-7-9(11)5-4-6-10(12)13/h9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyJBNBLYAPAXJSCW-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-hydroxy-7-trimethylsilylhept-6-ynoic acid?
The IUPAC name of 5-hydroxy-7-trimethylsilylhept-6-ynoic acid (CID 19074962) is 5-hydroxy-7-trimethylsilylhept-6-ynoic acid.
What is the SMILES notation for 5-hydroxy-7-trimethylsilylhept-6-ynoic acid?
The canonical SMILES for 5-hydroxy-7-trimethylsilylhept-6-ynoic acid is C[Si](C)(C)C#CC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-7-trimethylsilylhept-6-ynoic acid?
The InChIKey is JBNBLYAPAXJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-14(2,3)8-7-9(11)5-4-6-10(12)13/h9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 5-hydroxy-7-trimethylsilylhept-6-ynoic acid?
5-hydroxy-7-trimethylsilylhept-6-ynoic acid has a molecular weight of 214.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-trimethylsilylhept-6-ynoic acid is sourced from PubChem (CID 19074962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).