(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol

C21H28O2Si — CID 46192380

IUPAC(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
SMILESC/C(=C\CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,22H,16-17H2,1-4H3/b18-15+
InChIKeySIKRKICCVUAZKA-OBGWFSINSA-N
MW340.54 g/mol
LogP3.50
Rot. Bonds6

About (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol

(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol (PubChem CID 46192380) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
PubChem CID46192380
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
SMILESC/C(=C\CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,22H,16-17H2,1-4H3/b18-15+
InChIKeySIKRKICCVUAZKA-OBGWFSINSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
CID 175564241
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
CID 53375456
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
CID 59717822
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol (CID 46192380) is (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol is C/C(=C\CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol?
The InChIKey is SIKRKICCVUAZKA-OBGWFSINSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,22H,16-17H2,1-4H3/b18-15+.
What are the key properties of (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol?
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol has a molecular weight of 340.54 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol is sourced from PubChem (CID 46192380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).