(4S,5S)-5-trimethylsilyloct-6-yn-4-ol

C11H22OSi — CID 166440518

IUPAC(4S,5S)-5-trimethylsilyloct-6-yn-4-ol
SMILESCC#C[C@@H]([C@@H](O)CCC)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-6-8-10(12)11(9-7-2)13(3,4)5/h10-12H,6,8H2,1-5H3/t10-,11-/m0/s1
InChIKeyVNNULRBSGJVUOZ-QWRGUYRKSA-N
MW198.38 g/mol
LogP2.88
Rot. Bonds4

About (4S,5S)-5-trimethylsilyloct-6-yn-4-ol

(4S,5S)-5-trimethylsilyloct-6-yn-4-ol (PubChem CID 166440518) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is (4S,5S)-5-trimethylsilyloct-6-yn-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-trimethylsilyloct-6-yn-4-ol
PubChem CID166440518
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(4S,5S)-5-trimethylsilyloct-6-yn-4-ol
SMILESCC#C[C@@H]([C@@H](O)CCC)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-6-8-10(12)11(9-7-2)13(3,4)5/h10-12H,6,8H2,1-5H3/t10-,11-/m0/s1
InChIKeyVNNULRBSGJVUOZ-QWRGUYRKSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S,5S)-5-trimethylsilyloct-6-yn-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-trimethylsilyloct-6-yn-4-ol?
The IUPAC name of (4S,5S)-5-trimethylsilyloct-6-yn-4-ol (CID 166440518) is (4S,5S)-5-trimethylsilyloct-6-yn-4-ol.
What is the SMILES notation for (4S,5S)-5-trimethylsilyloct-6-yn-4-ol?
The canonical SMILES for (4S,5S)-5-trimethylsilyloct-6-yn-4-ol is CC#C[C@@H]([C@@H](O)CCC)[Si](C)(C)C.
What is the InChIKey of (4S,5S)-5-trimethylsilyloct-6-yn-4-ol?
The InChIKey is VNNULRBSGJVUOZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22OSi/c1-6-8-10(12)11(9-7-2)13(3,4)5/h10-12H,6,8H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-5-trimethylsilyloct-6-yn-4-ol?
(4S,5S)-5-trimethylsilyloct-6-yn-4-ol has a molecular weight of 198.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-trimethylsilyloct-6-yn-4-ol is sourced from PubChem (CID 166440518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).