(3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol

C16H24OSi — CID 10491615

IUPAC(3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@@H](C#C[Si](C)(C)C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C16H24OSi/c1-14(12-13-18(2,3)4)16(17)11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-11H2,1-4H3/t14-,16+/m0/s1
InChIKeyIHSMAWYZOWOCNT-GOEBONIOSA-N
MW260.45 g/mol
LogP3.50
Rot. Bonds4

About (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol

(3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 10491615) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID10491615
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name(3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@@H](C#C[Si](C)(C)C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C16H24OSi/c1-14(12-13-18(2,3)4)16(17)11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-11H2,1-4H3/t14-,16+/m0/s1
InChIKeyIHSMAWYZOWOCNT-GOEBONIOSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.50
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,4S)-4-methyl-1-phenyl-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,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol (CID 10491615) is (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol is C[C@@H](C#C[Si](C)(C)C)[C@H](O)CCc1ccccc1.
What is the InChIKey of (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is IHSMAWYZOWOCNT-GOEBONIOSA-N. The full InChI is InChI=1S/C16H24OSi/c1-14(12-13-18(2,3)4)16(17)11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-11H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol?
(3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 260.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-1-phenyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 10491615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).