(3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol

C12H22O2Si — CID 101340002

IUPAC(3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@@H](O)CCC(C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H22O2Si/c1-6-11(13)7-8-12(14-2)9-10-15(3,4)5/h6,11-13H,1,7-8H2,2-5H3/t11-,12?/m1/s1
InChIKeyXUGZIDZGBLUCDV-JHJMLUEUSA-N
MW226.39 g/mol
LogP2.21
Rot. Bonds5

About (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol

(3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol (PubChem CID 101340002) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol.

Molecular Properties

Compound Name(3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol
PubChem CID101340002
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@@H](O)CCC(C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H22O2Si/c1-6-11(13)7-8-12(14-2)9-10-15(3,4)5/h6,11-13H,1,7-8H2,2-5H3/t11-,12?/m1/s1
InChIKeyXUGZIDZGBLUCDV-JHJMLUEUSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The IUPAC name of (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol (CID 101340002) is (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol.
What is the SMILES notation for (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The canonical SMILES for (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol is C=C[C@@H](O)CCC(C#C[Si](C)(C)C)OC.
What is the InChIKey of (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The InChIKey is XUGZIDZGBLUCDV-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-11(13)7-8-12(14-2)9-10-15(3,4)5/h6,11-13H,1,7-8H2,2-5H3/t11-,12?/m1/s1.
What are the key properties of (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
(3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol has a molecular weight of 226.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol is sourced from PubChem (CID 101340002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).