(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol

C11H23IO2Si — CID 172738492

IUPAC(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol
SMILESCC[C@@H](O)/C=C(/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23IO2Si/c1-7-9(13)8-10(12)14-15(5,6)11(2,3)4/h8-9,13H,7H2,1-6H3/b10-8-/t9-/m1/s1
InChIKeyITQWZXFFDGPTBG-URLRMUCDSA-N
MW342.29 g/mol
LogP4.06
Rot. Bonds4

About (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol

(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol (PubChem CID 172738492) has the molecular formula C11H23IO2Si and a molecular weight of 342.29 g/mol. Its IUPAC name is (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol.

Molecular Properties

Compound Name(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol
PubChem CID172738492
Molecular FormulaC11H23IO2Si
Molecular Weight342.29 g/mol
Exact Mass342.05
IUPAC Name(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol
SMILESCC[C@@H](O)/C=C(/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23IO2Si/c1-7-9(13)8-10(12)14-15(5,6)11(2,3)4/h8-9,13H,7H2,1-6H3/b10-8-/t9-/m1/s1
InChIKeyITQWZXFFDGPTBG-URLRMUCDSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(3Z)-5,6-dimethylocta-3,7-dien-3-yl]oxy-dimethylsilane
CID 11391537
tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane
CID 10879267
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
CID 10707504
tert-butyl-dimethyl-[(3E)-5-methylocta-3,7-dien-3-yl]oxysilane
CID 15691228
(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol
CID 11199521
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 150347977
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 87999521
[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate
CID 91745490

Frequently Asked Questions

What is the IUPAC name of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol?
The IUPAC name of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol (CID 172738492) is (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol.
What is the SMILES notation for (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol?
The canonical SMILES for (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol is CC[C@@H](O)/C=C(/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol?
The InChIKey is ITQWZXFFDGPTBG-URLRMUCDSA-N. The full InChI is InChI=1S/C11H23IO2Si/c1-7-9(13)8-10(12)14-15(5,6)11(2,3)4/h8-9,13H,7H2,1-6H3/b10-8-/t9-/m1/s1.
What are the key properties of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol?
(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol has a molecular weight of 342.29 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol is sourced from PubChem (CID 172738492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).