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

C25H36O2Si — CID 16754110

IUPAC(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
SMILESC/C(=C\CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C25H36O2Si/c1-21(20-26)14-12-13-15-22(2)27-28(25(3,4)5,23-16-8-6-9-17-23)24-18-10-7-11-19-24/h6-11,14,16-19,22,26H,12-13,15,20H2,1-5H3/b21-14+/t22-/m1/s1
InChIKeyFPUYJQHOWMBDLQ-QJUACMODSA-N
MW396.65 g/mol
LogP5.06
Rot. Bonds9

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

(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol (PubChem CID 16754110) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol.

Molecular Properties

Compound Name(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
PubChem CID16754110
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Name(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
SMILESC/C(=C\CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C25H36O2Si/c1-21(20-26)14-12-13-15-22(2)27-28(25(3,4)5,23-16-8-6-9-17-23)24-18-10-7-11-19-24/h6-11,14,16-19,22,26H,12-13,15,20H2,1-5H3/b21-14+/t22-/m1/s1
InChIKeyFPUYJQHOWMBDLQ-QJUACMODSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.06
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

6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 70299743
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CID 24755231
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
(E,7R)-2-[(1R,2S)-4-bromo-1-(methoxymethoxy)-2-methylbut-3-ynyl]-7-[tert-butyl(diphenyl)silyl]oxyoct-2-en-1-ol
CID 11399141
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
CID 153316530

Frequently Asked Questions

What is the IUPAC name of (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol?
The IUPAC name of (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol (CID 16754110) is (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol.
What is the SMILES notation for (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol?
The canonical SMILES for (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol is C/C(=C\CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO.
What is the InChIKey of (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol?
The InChIKey is FPUYJQHOWMBDLQ-QJUACMODSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-21(20-26)14-12-13-15-22(2)27-28(25(3,4)5,23-16-8-6-9-17-23)24-18-10-7-11-19-24/h6-11,14,16-19,22,26H,12-13,15,20H2,1-5H3/b21-14+/t22-/m1/s1.
What are the key properties of (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol?
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol has a molecular weight of 396.65 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol is sourced from PubChem (CID 16754110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).