methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate

C11H20O3Si — CID 46210653

IUPACmethyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate
SMILESCOC(=O)CCC[C@@H](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/t10-/m1/s1
InChIKeyAVVDAAYSROSUMF-SNVBAGLBSA-N
MW228.36 g/mol
LogP1.57
Rot. Bonds4

About methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate

methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate (PubChem CID 46210653) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate.

Molecular Properties

Compound Namemethyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate
PubChem CID46210653
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate
SMILESCOC(=O)CCC[C@@H](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/t10-/m1/s1
InChIKeyAVVDAAYSROSUMF-SNVBAGLBSA-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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Related Compounds

6-Heptynoic acid, 5-hydroxy-, methyl ester, (S)-
CID 10986485
Methyl 5-hydroxy-7-trimethylsilyl-6-heptynoate
CID 14342991
Methyl 5-hydroxyhept-6-ynoate
CID 14444695
(5S)-5-Hydroxy-6-heptynoicAcid1-MethylethylEster
CID 76005898
Methyl 3-hydroxy-7-trimethylsilylhept-6-ynoate
CID 85764765
methyl (5R)-5-hydroxyundec-6-ynoate
CID 135080495
tert-butyl (5S)-7-[tert-butyl(dimethyl)silyl]-5-hydroxy-3-oxohept-6-ynoate
CID 10958370
methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate
CID 11064995
Methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
CID 10516228
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
CID 14350140
5-Hydroxy-7-trimethylsilylhept-6-ynoic acid
CID 19074962
Ethyl (3S,5R)-3,5-Dihydroxy-7-(trimethylsilyl)-6-heptynoate
CID 21075674

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate?
The IUPAC name of methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate (CID 46210653) is methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate.
What is the SMILES notation for methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate?
The canonical SMILES for methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate is COC(=O)CCC[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate?
The InChIKey is AVVDAAYSROSUMF-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate?
methyl (5R)-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 (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate is sourced from PubChem (CID 46210653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).