(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol

C29H36O2Si — CID 10026512

IUPAC(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
SMILESC[C@H](/C=C/c1ccccc1)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-24(20-21-25-14-8-5-9-15-25)28(30)22-23-31-32(29(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,24,28,30H,22-23H2,1-4H3/b21-20+/t24-,28+/m1/s1
InChIKeyWZKNVNUTCWIGID-FCJFDANSSA-N
MW444.69 g/mol
LogP5.66
Rot. Bonds9

About (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol

(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol (PubChem CID 10026512) has the molecular formula C29H36O2Si and a molecular weight of 444.69 g/mol. Its IUPAC name is (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
PubChem CID10026512
Molecular FormulaC29H36O2Si
Molecular Weight444.69 g/mol
Exact Mass444.25
IUPAC Name(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
SMILESC[C@H](/C=C/c1ccccc1)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-24(20-21-25-14-8-5-9-15-25)28(30)22-23-31-32(29(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,24,28,30H,22-23H2,1-4H3/b21-20+/t24-,28+/m1/s1
InChIKeyWZKNVNUTCWIGID-FCJFDANSSA-N
XLogP5.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
tert-butyl-[3-methyl-5-(4-phenoxyphenyl)pent-4-enoxy]-diphenylsilane
CID 139655776
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
N-[(E,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylpent-1-en-3-yl]-4-methylbenzenesulfonamide
CID 101455227
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574

Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol?
The IUPAC name of (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol (CID 10026512) is (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol.
What is the SMILES notation for (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol?
The canonical SMILES for (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol is C[C@H](/C=C/c1ccccc1)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol?
The InChIKey is WZKNVNUTCWIGID-FCJFDANSSA-N. The full InChI is InChI=1S/C29H36O2Si/c1-24(20-21-25-14-8-5-9-15-25)28(30)22-23-31-32(29(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,24,28,30H,22-23H2,1-4H3/b21-20+/t24-,28+/m1/s1.
What are the key properties of (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol?
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol has a molecular weight of 444.69 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol is sourced from PubChem (CID 10026512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).