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

C14H22OSi — CID 10857402

IUPAC(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
SMILESC=C([C@H](C)[C@H](O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-11(12(2)16(3,4)5)14(15)13-9-7-6-8-10-13/h6-11,14-15H,2H2,1,3-5H3/t11-,14-/m0/s1
InChIKeyADBRWOVPBOTIKY-FZMZJTMJSA-N
MW234.41 g/mol
LogP3.79
Rot. Bonds4

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

(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol (PubChem CID 10857402) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
PubChem CID10857402
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
SMILESC=C([C@H](C)[C@H](O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-11(12(2)16(3,4)5)14(15)13-9-7-6-8-10-13/h6-11,14-15H,2H2,1,3-5H3/t11-,14-/m0/s1
InChIKeyADBRWOVPBOTIKY-FZMZJTMJSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethene;2-methyl-1-phenyl-3-sulfanylbut-3-en-1-ol
CID 142008982
(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol
CID 10446181
1,2-diphenylethane-1,2-diol
CID 159073808
[[hydroxy(phenyl)methyl]-dimethylsilyl]-phenylmethanol
CID 150347911
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
benzene;2-phenylethane-1,1,2-triol
CID 174439943

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol?
The IUPAC name of (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol (CID 10857402) is (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol is C=C([C@H](C)[C@H](O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol?
The InChIKey is ADBRWOVPBOTIKY-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H22OSi/c1-11(12(2)16(3,4)5)14(15)13-9-7-6-8-10-13/h6-11,14-15H,2H2,1,3-5H3/t11-,14-/m0/s1.
What are the key properties of (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol?
(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol has a molecular weight of 234.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol is sourced from PubChem (CID 10857402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).