4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol

C13H23IO2Si — CID 72791321

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol
SMILESC=CC1(O)CC(O[Si](C)(C)C(C)(C)C)C=C1I
InChIInChI=1S/C13H23IO2Si/c1-7-13(15)9-10(8-11(13)14)16-17(5,6)12(2,3)4/h7-8,10,15H,1,9H2,2-6H3
InChIKeyLAUSMTQZQDUZOS-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.02
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol (PubChem CID 72791321) has the molecular formula C13H23IO2Si and a molecular weight of 366.32 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol
PubChem CID72791321
Molecular FormulaC13H23IO2Si
Molecular Weight366.32 g/mol
Exact Mass366.05
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol
SMILESC=CC1(O)CC(O[Si](C)(C)C(C)(C)C)C=C1I
InChIInChI=1S/C13H23IO2Si/c1-7-13(15)9-10(8-11(13)14)16-17(5,6)12(2,3)4/h7-8,10,15H,1,9H2,2-6H3
InChIKeyLAUSMTQZQDUZOS-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.02
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(1R,4S)-4-((tert-Butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1R,4R)-4-((tert-Butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10878531
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 134967812
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11687154
2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 12763355
(1RS,4RS)-4-allyl-4-hydroxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57172708
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 68854204
4-[Tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 68864796
(1S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 173671373

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol (CID 72791321) is 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol is C=CC1(O)CC(O[Si](C)(C)C(C)(C)C)C=C1I.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
The InChIKey is LAUSMTQZQDUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2Si/c1-7-13(15)9-10(8-11(13)14)16-17(5,6)12(2,3)4/h7-8,10,15H,1,9H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol has a molecular weight of 366.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol is sourced from PubChem (CID 72791321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).