(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol

C25H36O2Si — CID 24773167

IUPAC(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
SMILESC/C(=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)CO
InChIInChI=1S/C25H36O2Si/c1-21(19-22(2)20-26)13-12-18-27-28(25(3,4)5,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,13-17,22,26H,12,18-20H2,1-5H3/b21-13+/t22-/m1/s1
InChIKeyQNGWSLFHTZZPRT-MUIAGPEESA-N
MW396.65 g/mol
LogP4.92
Rot. Bonds9

About (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol

(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol (PubChem CID 24773167) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol.

Molecular Properties

Compound Name(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
PubChem CID24773167
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Name(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
SMILESC/C(=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)CO
InChIInChI=1S/C25H36O2Si/c1-21(19-22(2)20-26)13-12-18-27-28(25(3,4)5,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,13-17,22,26H,12,18-20H2,1-5H3/b21-13+/t22-/m1/s1
InChIKeyQNGWSLFHTZZPRT-MUIAGPEESA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
CID 135079027
tert-butyl-[(3E,6E,8E,12S)-14-[tert-butyl(dimethyl)silyl]oxy-4,6,12-trimethyltetradeca-3,6,8-trienoxy]-diphenylsilane
CID 11072197
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380

Frequently Asked Questions

What is the IUPAC name of (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol?
The IUPAC name of (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol (CID 24773167) is (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol.
What is the SMILES notation for (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol?
The canonical SMILES for (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol is C/C(=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)CO.
What is the InChIKey of (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol?
The InChIKey is QNGWSLFHTZZPRT-MUIAGPEESA-N. The full InChI is InChI=1S/C25H36O2Si/c1-21(19-22(2)20-26)13-12-18-27-28(25(3,4)5,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,13-17,22,26H,12,18-20H2,1-5H3/b21-13+/t22-/m1/s1.
What are the key properties of (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol?
(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol has a molecular weight of 396.65 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol is sourced from PubChem (CID 24773167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).