(3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol

C15H20OSi — CID 14143728

IUPAC(3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=C[C@H](c1ccccc1)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H20OSi/c1-5-14(13-9-7-6-8-10-13)15(16)11-12-17(2,3)4/h5-10,14-16H,1H2,2-4H3/t14-,15+/m1/s1
InChIKeyYPQQJKMHVRMLQC-CABCVRRESA-N
MW244.41 g/mol
LogP3.20
Rot. Bonds3

About (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol

(3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol (PubChem CID 14143728) has the molecular formula C15H20OSi and a molecular weight of 244.41 g/mol. Its IUPAC name is (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol
PubChem CID14143728
Molecular FormulaC15H20OSi
Molecular Weight244.41 g/mol
Exact Mass244.13
IUPAC Name(3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=C[C@H](c1ccccc1)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H20OSi/c1-5-14(13-9-7-6-8-10-13)15(16)11-12-17(2,3)4/h5-10,14-16H,1H2,2-4H3/t14-,15+/m1/s1
InChIKeyYPQQJKMHVRMLQC-CABCVRRESA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.20
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 (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol?
The IUPAC name of (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol (CID 14143728) is (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol.
What is the SMILES notation for (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol?
The canonical SMILES for (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol is C=C[C@H](c1ccccc1)[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol?
The InChIKey is YPQQJKMHVRMLQC-CABCVRRESA-N. The full InChI is InChI=1S/C15H20OSi/c1-5-14(13-9-7-6-8-10-13)15(16)11-12-17(2,3)4/h5-10,14-16H,1H2,2-4H3/t14-,15+/m1/s1.
What are the key properties of (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol?
(3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol has a molecular weight of 244.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-phenyl-1-trimethylsilylhex-5-en-1-yn-3-ol is sourced from PubChem (CID 14143728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).