1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol

C14H22OSi — CID 10421556

IUPAC1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
SMILESC=C(CC(O)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-12(11-16(2,3)4)10-14(15)13-8-6-5-7-9-13/h5-9,14-15H,1,10-11H2,2-4H3
InChIKeyVIVVQQCWPJLHAF-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.00
Rot. Bonds5

About 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol

1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol (PubChem CID 10421556) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
PubChem CID10421556
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
SMILESC=C(CC(O)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-12(11-16(2,3)4)10-14(15)13-8-6-5-7-9-13/h5-9,14-15H,1,10-11H2,2-4H3
InChIKeyVIVVQQCWPJLHAF-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The IUPAC name of 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol (CID 10421556) is 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol.
What is the SMILES notation for 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The canonical SMILES for 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol is C=C(CC(O)c1ccccc1)C[Si](C)(C)C.
What is the InChIKey of 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The InChIKey is VIVVQQCWPJLHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-12(11-16(2,3)4)10-14(15)13-8-6-5-7-9-13/h5-9,14-15H,1,10-11H2,2-4H3.
What are the key properties of 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol has a molecular weight of 234.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol is sourced from PubChem (CID 10421556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).