1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol

C27H32OSi — CID 15527869

IUPAC1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
SMILESC=C(CC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C27H32OSi/c1-22(21-29(2,3)4)20-26(23-14-8-5-9-15-23)27(28,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26,28H,1,20-21H2,2-4H3
InChIKeyRAFWKPAFUSDHMJ-UHFFFAOYSA-N
MW400.64 g/mol
LogP6.99
Rot. Bonds8

About 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol

1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol (PubChem CID 15527869) has the molecular formula C27H32OSi and a molecular weight of 400.64 g/mol. Its IUPAC name is 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
PubChem CID15527869
Molecular FormulaC27H32OSi
Molecular Weight400.64 g/mol
Exact Mass400.22
IUPAC Name1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
SMILESC=C(CC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C27H32OSi/c1-22(21-29(2,3)4)20-26(23-14-8-5-9-15-23)27(28,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26,28H,1,20-21H2,2-4H3
InChIKeyRAFWKPAFUSDHMJ-UHFFFAOYSA-N
XLogP6.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 56.99
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

(1R)-1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11183924
trimethyl-(2-methylidene-4-phenylpentyl)silane
CID 86100682
4-hydroxy-1,3,4,4-tetraphenylbutan-1-one
CID 91703942
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
CID 139051359
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
CID 54001098
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
(2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol
CID 14061039
(2S)-3-methyl-1,1-diphenyl-2-sulfanylbut-3-en-1-ol
CID 166858466
1,1,2-triphenylbutylphosphane
CID 19027387

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol?
The IUPAC name of 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol (CID 15527869) is 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol.
What is the SMILES notation for 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol?
The canonical SMILES for 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol is C=C(CC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C[Si](C)(C)C.
What is the InChIKey of 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol?
The InChIKey is RAFWKPAFUSDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32OSi/c1-22(21-29(2,3)4)20-26(23-14-8-5-9-15-23)27(28,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26,28H,1,20-21H2,2-4H3.
What are the key properties of 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol?
1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol has a molecular weight of 400.64 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol is sourced from PubChem (CID 15527869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).