[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane

C14H20O2Si — CID 102468198

IUPAC[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane
SMILESC=C/C=C/O[Si@@](O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20O2Si/c1-5-6-12-16-17(15,14(2,3)4)13-10-8-7-9-11-13/h5-12,15H,1H2,2-4H3/b12-6+/t17-/m0/s1
InChIKeyGPPZYFGIDUBHSU-NIUUYTMRSA-N
MW248.40 g/mol
LogP2.84
Rot. Bonds4

About [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane

[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane (PubChem CID 102468198) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane.

Molecular Properties

Compound Name[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane
PubChem CID102468198
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane
SMILESC=C/C=C/O[Si@@](O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20O2Si/c1-5-6-12-16-17(15,14(2,3)4)13-10-8-7-9-11-13/h5-12,15H,1H2,2-4H3/b12-6+/t17-/m0/s1
InChIKeyGPPZYFGIDUBHSU-NIUUYTMRSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid
CID 23194391
[(1E)-buta-1,3-dienyl]-dimethyl-phenylsilane
CID 11263945
tert-butyl-[(E)-2-fluoroethenoxy]-diphenylsilane
CID 101364803
tert-butyl N-[(1E)-buta-1,3-dienyl]-N-phenylcarbamate
CID 122218361
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
CID 174010632
4-[2-(tert-butyl-hydroxy-phenylsilyl)oxypropyl]phenol
CID 71501863
2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione
CID 10970722
butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid
CID 173322636
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066

Frequently Asked Questions

What is the IUPAC name of [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane?
The IUPAC name of [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane (CID 102468198) is [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane.
What is the SMILES notation for [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane?
The canonical SMILES for [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane is C=C/C=C/O[Si@@](O)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane?
The InChIKey is GPPZYFGIDUBHSU-NIUUYTMRSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-5-6-12-16-17(15,14(2,3)4)13-10-8-7-9-11-13/h5-12,15H,1H2,2-4H3/b12-6+/t17-/m0/s1.
What are the key properties of [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane?
[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane has a molecular weight of 248.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane is sourced from PubChem (CID 102468198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).