(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol

C21H27IO2Si — CID 59717822

IUPAC(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
SMILESCC(C)(C)[Si](OCC/C(I)=C/CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27IO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-15-18(22)14-16-23/h4-14,23H,15-17H2,1-3H3/b18-14-
InChIKeyAJAFUFFVZKWVPA-JXAWBTAJSA-N
MW466.44 g/mol
LogP4.26
Rot. Bonds7

About (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol

(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol (PubChem CID 59717822) has the molecular formula C21H27IO2Si and a molecular weight of 466.44 g/mol. Its IUPAC name is (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
PubChem CID59717822
Molecular FormulaC21H27IO2Si
Molecular Weight466.44 g/mol
Exact Mass466.08
IUPAC Name(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
SMILESCC(C)(C)[Si](OCC/C(I)=C/CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27IO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-15-18(22)14-16-23/h4-14,23H,15-17H2,1-3H3/b18-14-
InChIKeyAJAFUFFVZKWVPA-JXAWBTAJSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane
CID 163904820
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol
CID 67767772
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
(Z)-8-[tert-butyl(diphenyl)silyl]oxy-3-fluorooct-3-en-1-ol
CID 23054616
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol?
The IUPAC name of (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol (CID 59717822) is (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol.
What is the SMILES notation for (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol?
The canonical SMILES for (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol is CC(C)(C)[Si](OCC/C(I)=C/CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol?
The InChIKey is AJAFUFFVZKWVPA-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H27IO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-15-18(22)14-16-23/h4-14,23H,15-17H2,1-3H3/b18-14-.
What are the key properties of (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol?
(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol has a molecular weight of 466.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol is sourced from PubChem (CID 59717822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).