(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol

C26H38O2Si — CID 56652865

IUPAC(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
SMILESCCCCC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C26H38O2Si/c1-6-7-8-11-16-23(22(2)27)21-28-29(26(3,4)5,24-17-12-9-13-18-24)25-19-14-10-15-20-25/h9-10,12-20,22,27H,6-8,11,21H2,1-5H3/b23-16+
InChIKeyOGHWWCKGLYNTHB-XQNSMLJCSA-N
MW410.67 g/mol
LogP5.45
Rot. Bonds10

About (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol

(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol (PubChem CID 56652865) has the molecular formula C26H38O2Si and a molecular weight of 410.67 g/mol. Its IUPAC name is (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
PubChem CID56652865
Molecular FormulaC26H38O2Si
Molecular Weight410.67 g/mol
Exact Mass410.26
IUPAC Name(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
SMILESCCCCC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C26H38O2Si/c1-6-7-8-11-16-23(22(2)27)21-28-29(26(3,4)5,24-17-12-9-13-18-24)25-19-14-10-15-20-25/h9-10,12-20,22,27H,6-8,11,21H2,1-5H3/b23-16+
InChIKeyOGHWWCKGLYNTHB-XQNSMLJCSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 55.45
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

tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 56653219
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol
CID 101480551

Frequently Asked Questions

What is the IUPAC name of (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol?
The IUPAC name of (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol (CID 56652865) is (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol.
What is the SMILES notation for (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol?
The canonical SMILES for (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol is CCCCC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O.
What is the InChIKey of (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol?
The InChIKey is OGHWWCKGLYNTHB-XQNSMLJCSA-N. The full InChI is InChI=1S/C26H38O2Si/c1-6-7-8-11-16-23(22(2)27)21-28-29(26(3,4)5,24-17-12-9-13-18-24)25-19-14-10-15-20-25/h9-10,12-20,22,27H,6-8,11,21H2,1-5H3/b23-16+.
What are the key properties of (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol?
(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol has a molecular weight of 410.67 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol is sourced from PubChem (CID 56652865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).