(Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol

C11H20OSi — CID 46183304

IUPAC(Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol
SMILESCC/C=C\C[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h6-7,11-12H,5,8H2,1-4H3/b7-6-/t11-/m1/s1
InChIKeyGVAYSBNDWCTGHW-JMEBYUIHSA-N
MW196.37 g/mol
LogP2.58
Rot. Bonds3

About (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol

(Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol (PubChem CID 46183304) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol.

Molecular Properties

Compound Name(Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol
PubChem CID46183304
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol
SMILESCC/C=C\C[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h6-7,11-12H,5,8H2,1-4H3/b7-6-/t11-/m1/s1
InChIKeyGVAYSBNDWCTGHW-JMEBYUIHSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol?
The IUPAC name of (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol (CID 46183304) is (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol.
What is the SMILES notation for (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol?
The canonical SMILES for (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol is CC/C=C\C[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol?
The InChIKey is GVAYSBNDWCTGHW-JMEBYUIHSA-N. The full InChI is InChI=1S/C11H20OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h6-7,11-12H,5,8H2,1-4H3/b7-6-/t11-/m1/s1.
What are the key properties of (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol?
(Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol has a molecular weight of 196.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol is sourced from PubChem (CID 46183304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).