3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol

C21H28OSi — CID 15122911

IUPAC3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol
SMILESC=C(CCO)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28OSi/c1-18(15-16-22)17-23(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,22H,1,15-17H2,2-4H3
InChIKeyAUEFWGDWKWLCHM-UHFFFAOYSA-N
MW324.54 g/mol
LogP3.99
Rot. Bonds6

About 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol

3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol (PubChem CID 15122911) has the molecular formula C21H28OSi and a molecular weight of 324.54 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol
PubChem CID15122911
Molecular FormulaC21H28OSi
Molecular Weight324.54 g/mol
Exact Mass324.19
IUPAC Name3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol
SMILESC=C(CCO)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28OSi/c1-18(15-16-22)17-23(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,22H,1,15-17H2,2-4H3
InChIKeyAUEFWGDWKWLCHM-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 53.99
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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Related Compounds

1-[2-[[tert-butyl(diphenyl)silyl]methyl]prop-2-enyl]cyclopentan-1-ol
CID 101034326
(4-cyclopentyl-2-methylidenebutyl)-methyl-diphenylsilane
CID 162694845
3-benzylbut-3-en-1-ol
CID 22764430
2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone
CID 11246261
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
4-hydroxybut-1-en-2-yl(triphenyl)phosphanium
CID 101022398
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-[(6-ethenyl-3-pyridinyl)methyl]-diphenylsilane
CID 91358639

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol (CID 15122911) is 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol is C=C(CCO)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol?
The InChIKey is AUEFWGDWKWLCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSi/c1-18(15-16-22)17-23(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,22H,1,15-17H2,2-4H3.
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol?
3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol has a molecular weight of 324.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol is sourced from PubChem (CID 15122911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).