(2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol

C15H22OSi — CID 101067256

IUPAC(2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol
SMILESC[C@@H](C=C=C[Si](C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-13(9-8-12-17(2,3)4)15(16)14-10-6-5-7-11-14/h5-7,9-13,15-16H,1-4H3/t8?,13-,15?/m0/s1
InChIKeyZQHRAOXVIVLLLH-KYAFNEOASA-N
MW246.43 g/mol
LogP3.94
Rot. Bonds4

About (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol

(2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol (PubChem CID 101067256) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol
PubChem CID101067256
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name(2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol
SMILESC[C@@H](C=C=C[Si](C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-13(9-8-12-17(2,3)4)15(16)14-10-6-5-7-11-14/h5-7,9-13,15-16H,1-4H3/t8?,13-,15?/m0/s1
InChIKeyZQHRAOXVIVLLLH-KYAFNEOASA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 53.94
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

(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
1,2-diphenylethane-1,2-diol
CID 159073808
(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
CID 134905620
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
(E)-2-methyl-1-phenyl-4-trimethylgermylbut-3-en-1-ol
CID 10707756
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
CID 10857402
(1R,2S)-2-amino-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid
CID 76960503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol?
The IUPAC name of (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol (CID 101067256) is (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol.
What is the SMILES notation for (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol?
The canonical SMILES for (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol is C[C@@H](C=C=C[Si](C)(C)C)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol?
The InChIKey is ZQHRAOXVIVLLLH-KYAFNEOASA-N. The full InChI is InChI=1S/C15H22OSi/c1-13(9-8-12-17(2,3)4)15(16)14-10-6-5-7-11-14/h5-7,9-13,15-16H,1-4H3/t8?,13-,15?/m0/s1.
What are the key properties of (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol?
(2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol has a molecular weight of 246.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-phenyl-5-trimethylsilylpenta-3,4-dien-1-ol is sourced from PubChem (CID 101067256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).