1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol

C13H18OSi — CID 12653266

IUPAC1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
SMILESC=C=C(C(O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H18OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h6-10,13-14H,1H2,2-4H3
InChIKeyFTEIMMXKNUQJQZ-UHFFFAOYSA-N
MW218.37 g/mol
LogP3.31
Rot. Bonds3

About 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol

1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol (PubChem CID 12653266) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
PubChem CID12653266
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
SMILESC=C=C(C(O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H18OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h6-10,13-14H,1H2,2-4H3
InChIKeyFTEIMMXKNUQJQZ-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol
CID 13211418
(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol
CID 177483276
(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol
CID 11739228
1,2-diphenylbuta-2,3-dien-1-ol
CID 10889496
[[hydroxy(phenyl)methyl]-dimethylsilyl]-phenylmethanol
CID 150347911
(1R)-2-(methylamino)-1-phenylprop-2-en-1-ol
CID 163592308
3-methyl-2-methylidene-1-phenylbut-3-en-1-ol
CID 12507780
(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
CID 10857402
2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol
CID 102172162
5-[(S)-hydroxy(phenyl)methyl]hepta-5,6-dienenitrile
CID 15174677
2-methoxy-1-phenylbuta-2,3-dien-1-amine
CID 130739533
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol?
The IUPAC name of 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol (CID 12653266) is 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol.
What is the SMILES notation for 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol?
The canonical SMILES for 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol is C=C=C(C(O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol?
The InChIKey is FTEIMMXKNUQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h6-10,13-14H,1H2,2-4H3.
What are the key properties of 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol?
1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol has a molecular weight of 218.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol is sourced from PubChem (CID 12653266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).