(5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol

C21H34O2Si — CID 11382423

IUPAC(5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol
SMILESCC(C)[Si](O[C@H](C#CC(C)(C)O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H34O2Si/c1-16(2)24(17(3)4,18(5)6)23-20(14-15-21(7,8)22)19-12-10-9-11-13-19/h9-13,16-18,20,22H,1-8H3/t20-/m1/s1
InChIKeyYTKLCABXQMJRAN-HXUWFJFHSA-N
MW346.59 g/mol
LogP5.69
Rot. Bonds6

About (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol

(5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol (PubChem CID 11382423) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol.

Molecular Properties

Compound Name(5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol
PubChem CID11382423
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Name(5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol
SMILESCC(C)[Si](O[C@H](C#CC(C)(C)O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H34O2Si/c1-16(2)24(17(3)4,18(5)6)23-20(14-15-21(7,8)22)19-12-10-9-11-13-19/h9-13,16-18,20,22H,1-8H3/t20-/m1/s1
InChIKeyYTKLCABXQMJRAN-HXUWFJFHSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol
CID 15525443
(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol
CID 164681740
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol
CID 175697648
cumene;2-hydroperoxypropan-2-ol
CID 175197526
2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
CID 174922724
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
2-amino-3-phenylbutan-2-ol
CID 68615274
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane
CID 71389166
4-methyl-1-phenyl-4-trimethylsilylpent-2-yn-1-ol
CID 10243671
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol?
The IUPAC name of (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol (CID 11382423) is (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol.
What is the SMILES notation for (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol?
The canonical SMILES for (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol is CC(C)[Si](O[C@H](C#CC(C)(C)O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol?
The InChIKey is YTKLCABXQMJRAN-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-16(2)24(17(3)4,18(5)6)23-20(14-15-21(7,8)22)19-12-10-9-11-13-19/h9-13,16-18,20,22H,1-8H3/t20-/m1/s1.
What are the key properties of (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol?
(5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol has a molecular weight of 346.59 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol is sourced from PubChem (CID 11382423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).