5-hydroxy-7-trimethylsilylhept-6-ynoate

C10H17O3Si- — CID 19074961

IUPAC5-hydroxy-7-trimethylsilylhept-6-ynoate
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)/p-1
InChIKeyJBNBLYAPAXJSCW-UHFFFAOYSA-M
MW213.33 g/mol
LogP0.15
Rot. Bonds4

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

5-hydroxy-7-trimethylsilylhept-6-ynoate (PubChem CID 19074961) has the molecular formula C10H17O3Si- and a molecular weight of 213.33 g/mol. Its IUPAC name is 5-hydroxy-7-trimethylsilylhept-6-ynoate.

Molecular Properties

Compound Name5-hydroxy-7-trimethylsilylhept-6-ynoate
PubChem CID19074961
Molecular FormulaC10H17O3Si-
Molecular Weight213.33 g/mol
Exact Mass213.10
IUPAC Name5-hydroxy-7-trimethylsilylhept-6-ynoate
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)/p-1
InChIKeyJBNBLYAPAXJSCW-UHFFFAOYSA-M
XLogP0.15
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 50.15
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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Related Compounds

Gallicynoic Acid G
CID 24800367
5-((Tert-butyldimethylsilyl)oxy)hexanoic acid
CID 123255894
Methyl 5-hydroxy-7-trimethylsilyl-6-heptynoate
CID 14342991
methyl (5R)-5-hydroxyundec-6-ynoate
CID 135080495
methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate
CID 11064995
5-Hydroxy-7-trimethylsilylhept-6-ynoic acid
CID 19074962
Ethyl (3S,5R)-3,5-Dihydroxy-7-(trimethylsilyl)-6-heptynoate
CID 21075674
Ethyl 5-Hydroxy-3-oxo-7-(trimethylsilyl)-6-heptynoate
CID 21075675
Methyl (5S)-5-hydroxy-7-(trimethylsilyl)hept-6-ynoate
CID 46210267
propan-2-yl (5S)-5-hydroxy-7-trimethylsilylhept-6-ynoate
CID 53308913
ethyl (3R,5S)-3,5-dihydroxy-7-trimethylsilylhept-6-ynoate
CID 58782216
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
CID 87751640

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-trimethylsilylhept-6-ynoate?
The IUPAC name of 5-hydroxy-7-trimethylsilylhept-6-ynoate (CID 19074961) is 5-hydroxy-7-trimethylsilylhept-6-ynoate.
What is the SMILES notation for 5-hydroxy-7-trimethylsilylhept-6-ynoate?
The canonical SMILES for 5-hydroxy-7-trimethylsilylhept-6-ynoate is C[Si](C)(C)C#CC(O)CCCC(=O)[O-].
What is the InChIKey of 5-hydroxy-7-trimethylsilylhept-6-ynoate?
The InChIKey is JBNBLYAPAXJSCW-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 5-hydroxy-7-trimethylsilylhept-6-ynoate?
5-hydroxy-7-trimethylsilylhept-6-ynoate has a molecular weight of 213.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-trimethylsilylhept-6-ynoate is sourced from PubChem (CID 19074961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).