(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol

C13H20OSi — CID 12705031

IUPAC(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
SMILESC=C[C@@H]([C@H](O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H20OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h5-10,12-14H,1H2,2-4H3/t12-,13+/m0/s1
InChIKeySRSUQXZLAZAMDQ-QWHCGFSZSA-N
MW220.39 g/mol
LogP3.61
Rot. Bonds4

About (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol

(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol (PubChem CID 12705031) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
PubChem CID12705031
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
SMILESC=C[C@@H]([C@H](O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H20OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h5-10,12-14H,1H2,2-4H3/t12-,13+/m0/s1
InChIKeySRSUQXZLAZAMDQ-QWHCGFSZSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 53.61
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

2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
1,2-diphenylethane-1,2-diol
CID 159073808
(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
CID 102006794
benzene;1-phenylprop-2-en-1-ol
CID 174884403
(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
CID 139262045
(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid
CID 10988339
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
1-phenylpent-3-ene-1,2-diol
CID 72819461
(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
CID 10857402
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
1,1-diphenylbut-3-en-2-ol
CID 88826241

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol (CID 12705031) is (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol is C=C[C@@H]([C@H](O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol?
The InChIKey is SRSUQXZLAZAMDQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H20OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h5-10,12-14H,1H2,2-4H3/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol?
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol has a molecular weight of 220.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol is sourced from PubChem (CID 12705031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).