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

C15H22O4Si — CID 71335404

IUPACacetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(=O)O.C[Si](C)(OC1C=CC(O)C1)c1ccccc1
InChIInChI=1S/C13H18O2Si.C2H4O2/c1-16(2,13-6-4-3-5-7-13)15-12-9-8-11(14)10-12;1-2(3)4/h3-9,11-12,14H,10H2,1-2H3;1H3,(H,3,4)
InChIKeyIFYUGPJCJNYWDU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.90
Rot. Bonds3

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

acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 71335404) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID71335404
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Nameacetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(=O)O.C[Si](C)(OC1C=CC(O)C1)c1ccccc1
InChIInChI=1S/C13H18O2Si.C2H4O2/c1-16(2,13-6-4-3-5-7-13)15-12-9-8-11(14)10-12;1-2(3)4/h3-9,11-12,14H,10H2,1-2H3;1H3,(H,3,4)
InChIKeyIFYUGPJCJNYWDU-UHFFFAOYSA-N
XLogP1.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
CID 71335405
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555
acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
CID 71400880
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
cis-(1R,2S)-2-[dimethyl(phenyl)silyl]oxycyclopentan-1-ol
CID 10633593
(1R,4R)-4-trityloxycyclopent-2-en-1-ol
CID 11121433
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate
CID 70446918
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
(Z)-4-[dimethyl(phenyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
CID 11001760

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol (CID 71335404) is acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol is CC(=O)O.C[Si](C)(OC1C=CC(O)C1)c1ccccc1.
What is the InChIKey of acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is IFYUGPJCJNYWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si.C2H4O2/c1-16(2,13-6-4-3-5-7-13)15-12-9-8-11(14)10-12;1-2(3)4/h3-9,11-12,14H,10H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol?
acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 294.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 71335404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).