acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol

C16H32O4Si — CID 71355555

IUPACacetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
SMILESCC(=O)O.CC(C)[Si](O[C@@H]1C=C[C@H](O)C1)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si.C2H4O2/c1-10(2)17(11(3)4,12(5)6)16-14-8-7-13(15)9-14;1-2(3)4/h7-8,10-15H,9H2,1-6H3;1H3,(H,3,4)/t13-,14+;/m0./s1
InChIKeyMANYHIYZVDAQMA-LMRHVHIWSA-N
MW316.51 g/mol
LogP3.96
Rot. Bonds5

About acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol

acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol (PubChem CID 71355555) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
PubChem CID71355555
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nameacetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
SMILESCC(=O)O.CC(C)[Si](O[C@@H]1C=C[C@H](O)C1)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si.C2H4O2/c1-10(2)17(11(3)4,12(5)6)16-14-8-7-13(15)9-14;1-2(3)4/h7-8,10-15H,9H2,1-6H3;1H3,(H,3,4)/t13-,14+;/m0./s1
InChIKeyMANYHIYZVDAQMA-LMRHVHIWSA-N
XLogP3.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.96
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

acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
CID 71335404
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
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 10990189
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
CID 71335405
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid
CID 129389129
acetic acid;4-aminocyclopent-2-en-1-ol
CID 70584615
(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 11817669

Frequently Asked Questions

What is the IUPAC name of acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol?
The IUPAC name of acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol (CID 71355555) is acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol.
What is the SMILES notation for acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol?
The canonical SMILES for acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol is CC(=O)O.CC(C)[Si](O[C@@H]1C=C[C@H](O)C1)(C(C)C)C(C)C.
What is the InChIKey of acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol?
The InChIKey is MANYHIYZVDAQMA-LMRHVHIWSA-N. The full InChI is InChI=1S/C14H28O2Si.C2H4O2/c1-10(2)17(11(3)4,12(5)6)16-14-8-7-13(15)9-14;1-2(3)4/h7-8,10-15H,9H2,1-6H3;1H3,(H,3,4)/t13-,14+;/m0./s1.
What are the key properties of acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol?
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol has a molecular weight of 316.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol is sourced from PubChem (CID 71355555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).