methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate

C13H22O3Si — CID 11064995

IUPACmethyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate
SMILESCOC(=O)CCC[C@H](O)C#C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-16-13(15)10-7-9-12(14)8-5-6-11-17(2,3)4/h6,11-12,14H,7,9-10H2,1-4H3/b11-6+/t12-/m1/s1
InChIKeyQSBZQOXARXFWSR-IGEMTJHASA-N
MW254.40 g/mol
LogP2.13
Rot. Bonds5

About methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate

methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate (PubChem CID 11064995) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate.

Molecular Properties

Compound Namemethyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate
PubChem CID11064995
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Namemethyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate
SMILESCOC(=O)CCC[C@H](O)C#C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-16-13(15)10-7-9-12(14)8-5-6-11-17(2,3)4/h6,11-12,14H,7,9-10H2,1-4H3/b11-6+/t12-/m1/s1
InChIKeyQSBZQOXARXFWSR-IGEMTJHASA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.13
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

Methyl 5-hydroxy-7-trimethylsilyl-6-heptynoate
CID 14342991
methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
CID 134904305
5-Hydroxy-7-trimethylsilylhept-6-ynoic acid
CID 19074962
Methyl (5S)-5-hydroxy-7-(trimethylsilyl)hept-6-ynoate
CID 46210267
propan-2-yl (5S)-5-hydroxy-7-trimethylsilylhept-6-ynoate
CID 53308913
(5S)-5-hydroxy-7-trimethylsilylhept-6-ynoic acid
CID 88138409
methyl (5S)-5-[(2S)-4-hydroxybutan-2-yl]oxy-7-trimethylsilylhept-6-ynoate
CID 11120137
methyl (E)-5-hydroxy-7-trimethylsilylhept-6-enoate
CID 13963458
methyl (E,5S)-5-hydroxy-7-trimethylsilylhept-6-enoate
CID 13963459
5-Hydroxy-7-trimethylsilylhept-6-ynoate
CID 19074961
methyl (5R)-5-hydroxy-7-trimethylsilylhept-6-ynoate
CID 46210653

Frequently Asked Questions

What is the IUPAC name of methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate?
The IUPAC name of methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate (CID 11064995) is methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate.
What is the SMILES notation for methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate?
The canonical SMILES for methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate is COC(=O)CCC[C@H](O)C#C/C=C/[Si](C)(C)C.
What is the InChIKey of methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate?
The InChIKey is QSBZQOXARXFWSR-IGEMTJHASA-N. The full InChI is InChI=1S/C13H22O3Si/c1-16-13(15)10-7-9-12(14)8-5-6-11-17(2,3)4/h6,11-12,14H,7,9-10H2,1-4H3/b11-6+/t12-/m1/s1.
What are the key properties of methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate?
methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate has a molecular weight of 254.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate is sourced from PubChem (CID 11064995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).