(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol

C7H12O3 — CID 10654329

IUPAC(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol
SMILESOCC[C@@H]1C=C[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O3/c8-4-3-5-1-2-6(9)7(5)10/h1-2,5-10H,3-4H2/t5-,6-,7+/m0/s1
InChIKeyPMMRRKBUQUMNTA-LYFYHCNISA-N
MW144.17 g/mol
LogP-0.72
Rot. Bonds2

About (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol

(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol (PubChem CID 10654329) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol
PubChem CID10654329
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol
SMILESOCC[C@@H]1C=C[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O3/c8-4-3-5-1-2-6(9)7(5)10/h1-2,5-10H,3-4H2/t5-,6-,7+/m0/s1
InChIKeyPMMRRKBUQUMNTA-LYFYHCNISA-N
XLogP-0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.72
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

(2R,5R)-5-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 121320949
(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 10057625
(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol
CID 139120470
(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol
CID 10486977
2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
CID 101087121
cyclobut-3-ene-1,2-diol
CID 12513563
CID 59824719
CID 59824719
(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
CID 134980819
(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol
CID 10535305
(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol
CID 166449152
2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 134991840
(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol
CID 21125538

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The IUPAC name of (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol (CID 10654329) is (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol.
What is the SMILES notation for (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The canonical SMILES for (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol is OCC[C@@H]1C=C[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The InChIKey is PMMRRKBUQUMNTA-LYFYHCNISA-N. The full InChI is InChI=1S/C7H12O3/c8-4-3-5-1-2-6(9)7(5)10/h1-2,5-10H,3-4H2/t5-,6-,7+/m0/s1.
What are the key properties of (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol?
(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol has a molecular weight of 144.17 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 10654329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).