(E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol

C14H18OSi — CID 10889736

IUPAC(E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol
SMILESC[Si](C)(C)C#CC(O)/C=C/c1ccccc1
InChIInChI=1S/C14H18OSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-10,14-15H,1-3H3/b10-9+
InChIKeyNQRJQIPRMRSHCB-MDZDMXLPSA-N
MW230.38 g/mol
LogP2.94
Rot. Bonds2

About (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol

(E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol (PubChem CID 10889736) has the molecular formula C14H18OSi and a molecular weight of 230.38 g/mol. Its IUPAC name is (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol
PubChem CID10889736
Molecular FormulaC14H18OSi
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name(E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol
SMILESC[Si](C)(C)C#CC(O)/C=C/c1ccccc1
InChIInChI=1S/C14H18OSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-10,14-15H,1-3H3/b10-9+
InChIKeyNQRJQIPRMRSHCB-MDZDMXLPSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.94
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol?
The IUPAC name of (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol (CID 10889736) is (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol.
What is the SMILES notation for (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol?
The canonical SMILES for (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol is C[Si](C)(C)C#CC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol?
The InChIKey is NQRJQIPRMRSHCB-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18OSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-10,14-15H,1-3H3/b10-9+.
What are the key properties of (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol?
(E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol has a molecular weight of 230.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 10889736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).