4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol

C13H18O2Si — CID 71335405

IUPAC4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
SMILESC[Si](C)(OC1C=CC(O)C1)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-16(2,13-6-4-3-5-7-13)15-12-9-8-11(14)10-12/h3-9,11-12,14H,10H2,1-2H3
InChIKeyCDMUCTPYVFWBFW-UHFFFAOYSA-N
MW234.37 g/mol
LogP1.80
Rot. Bonds3

About 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol

4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 71335405) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID71335405
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
SMILESC[Si](C)(OC1C=CC(O)C1)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-16(2,13-6-4-3-5-7-13)15-12-9-8-11(14)10-12/h3-9,11-12,14H,10H2,1-2H3
InChIKeyCDMUCTPYVFWBFW-UHFFFAOYSA-N
XLogP1.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol (CID 71335405) is 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol is C[Si](C)(OC1C=CC(O)C1)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is CDMUCTPYVFWBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-16(2,13-6-4-3-5-7-13)15-12-9-8-11(14)10-12/h3-9,11-12,14H,10H2,1-2H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 234.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 71335405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).