(3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol

C12H24OSi — CID 134963596

IUPAC(3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@H](C#C[Si](C)(C)C)[C@@H](O)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(8-9-14(5,6)7)11(13)12(2,3)4/h10-11,13H,1-7H3/t10-,11-/m1/s1
InChIKeyCOUBKATVBPYIEJ-GHMZBOCLSA-N
MW212.41 g/mol
LogP2.91
Rot. Bonds1

About (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol

(3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 134963596) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID134963596
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@H](C#C[Si](C)(C)C)[C@@H](O)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(8-9-14(5,6)7)11(13)12(2,3)4/h10-11,13H,1-7H3/t10-,11-/m1/s1
InChIKeyCOUBKATVBPYIEJ-GHMZBOCLSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 52.91
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 (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-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 (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol (CID 134963596) is (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol is C[C@H](C#C[Si](C)(C)C)[C@@H](O)C(C)(C)C.
What is the InChIKey of (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is COUBKATVBPYIEJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10(8-9-14(5,6)7)11(13)12(2,3)4/h10-11,13H,1-7H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol?
(3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 212.41 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 134963596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).