acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol

C7H12O4 — CID 71400880

IUPACacetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
SMILESCC(=O)O.O[C@H]1C=C[C@H](O)C1
InChIInChI=1S/C5H8O2.C2H4O2/c6-4-1-2-5(7)3-4;1-2(3)4/h1-2,4-7H,3H2;1H3,(H,3,4)/t4-,5-;/m0./s1
InChIKeyRRQCMHBIMPBAIA-FHAQVOQBSA-N
MW160.17 g/mol
LogP-0.24
Rot. Bonds

About acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol

acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol (PubChem CID 71400880) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Nameacetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
PubChem CID71400880
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Nameacetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
SMILESCC(=O)O.O[C@H]1C=C[C@H](O)C1
InChIInChI=1S/C5H8O2.C2H4O2/c6-4-1-2-5(7)3-4;1-2(3)4/h1-2,4-7H,3H2;1H3,(H,3,4)/t4-,5-;/m0./s1
InChIKeyRRQCMHBIMPBAIA-FHAQVOQBSA-N
XLogP-0.24
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;4-aminocyclopent-2-en-1-ol
CID 70584615
(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid
CID 129389129
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
acetic acid;cyclohexa-2,4-dien-1-ol
CID 139242866
acetic acid;cyclohexa-3,5-diene-1,2-diol
CID 71339851
acetic acid;4-[dimethyl(phenyl)silyl]oxycyclopent-2-en-1-ol
CID 71335404
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336
1-(5-hydroxycyclohex-3-en-1-yl)ethanone
CID 71436445
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 130125975
acetic acid;(3R,4S)-thiolane-3,4-diol
CID 71412938

Frequently Asked Questions

What is the IUPAC name of acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol?
The IUPAC name of acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol (CID 71400880) is acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol.
What is the SMILES notation for acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol?
The canonical SMILES for acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol is CC(=O)O.O[C@H]1C=C[C@H](O)C1.
What is the InChIKey of acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol?
The InChIKey is RRQCMHBIMPBAIA-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H8O2.C2H4O2/c6-4-1-2-5(7)3-4;1-2(3)4/h1-2,4-7H,3H2;1H3,(H,3,4)/t4-,5-;/m0./s1.
What are the key properties of acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol?
acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol has a molecular weight of 160.17 g/mol, XLogP of -0.24, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol is sourced from PubChem (CID 71400880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).