(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol

C30H38O2Si — CID 56653219

IUPAC(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(C)(C)C(O)/C(=C/c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H38O2Si/c1-29(2,3)28(31)25(22-24-16-10-7-11-17-24)23-32-33(30(4,5)6,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-22,28,31H,23H2,1-6H3/b25-22+
InChIKeyLOCWQONJZUDQOX-YYDJUVGSSA-N
MW458.72 g/mol
LogP6.05
Rot. Bonds7

About (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol

(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 56653219) has the molecular formula C30H38O2Si and a molecular weight of 458.72 g/mol. Its IUPAC name is (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID56653219
Molecular FormulaC30H38O2Si
Molecular Weight458.72 g/mol
Exact Mass458.26
IUPAC Name(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(C)(C)C(O)/C(=C/c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H38O2Si/c1-29(2,3)28(31)25(22-24-16-10-7-11-17-24)23-32-33(30(4,5)6,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-22,28,31H,23H2,1-6H3/b25-22+
InChIKeyLOCWQONJZUDQOX-YYDJUVGSSA-N
XLogP6.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.72
LogP ≤ 56.05
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

(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
CID 56652865
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol (CID 56653219) is (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol is CC(C)(C)C(O)/C(=C/c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is LOCWQONJZUDQOX-YYDJUVGSSA-N. The full InChI is InChI=1S/C30H38O2Si/c1-29(2,3)28(31)25(22-24-16-10-7-11-17-24)23-32-33(30(4,5)6,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-22,28,31H,23H2,1-6H3/b25-22+.
What are the key properties of (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol?
(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 458.72 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 56653219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).