(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol

C20H30OSi — CID 11957885

IUPAC(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol
SMILESCCCCC#C/C(=C(/C)C(C)(O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H30OSi/c1-7-8-9-13-16-19(22(4,5)6)17(2)20(3,21)18-14-11-10-12-15-18/h10-12,14-15,21H,7-9H2,1-6H3/b19-17+
InChIKeyFRZUQTSEBJPFPZ-HTXNQAPBSA-N
MW314.55 g/mol
LogP5.28
Rot. Bonds5

About (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol

(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol (PubChem CID 11957885) has the molecular formula C20H30OSi and a molecular weight of 314.55 g/mol. Its IUPAC name is (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol
PubChem CID11957885
Molecular FormulaC20H30OSi
Molecular Weight314.55 g/mol
Exact Mass314.21
IUPAC Name(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol
SMILESCCCCC#C/C(=C(/C)C(C)(O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H30OSi/c1-7-8-9-13-16-19(22(4,5)6)17(2)20(3,21)18-14-11-10-12-15-18/h10-12,14-15,21H,7-9H2,1-6H3/b19-17+
InChIKeyFRZUQTSEBJPFPZ-HTXNQAPBSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-phenylundec-6-yn-5-ol
CID 172639655
oct-1-en-3-yn-2-ylbenzene
CID 86242377
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CID 166475568
3-methyl-1,3-diphenylnon-4-yn-1-one
CID 102480469
(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol
CID 11279446
dec-1-en-5-yn-2-yl-dimethyl-phenylsilane
CID 86003298
2-hept-1-ynyl-2-phenylpropanedioic acid
CID 166475605
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
tert-butylbenzene;hexane
CID 175254424
1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol
CID 23624790
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066
[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
CID 11807093

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol?
The IUPAC name of (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol (CID 11957885) is (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol.
What is the SMILES notation for (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol?
The canonical SMILES for (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol is CCCCC#C/C(=C(/C)C(C)(O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol?
The InChIKey is FRZUQTSEBJPFPZ-HTXNQAPBSA-N. The full InChI is InChI=1S/C20H30OSi/c1-7-8-9-13-16-19(22(4,5)6)17(2)20(3,21)18-14-11-10-12-15-18/h10-12,14-15,21H,7-9H2,1-6H3/b19-17+.
What are the key properties of (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol?
(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol has a molecular weight of 314.55 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol is sourced from PubChem (CID 11957885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).