(1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol

C10H16O3 — CID 166441322

IUPAC(1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol
SMILESC=C(OCC)C1=C[C@@H](O)C[C@@]1(C)O
InChIInChI=1S/C10H16O3/c1-4-13-7(2)9-5-8(11)6-10(9,3)12/h5,8,11-12H,2,4,6H2,1,3H3/t8-,10-/m1/s1
InChIKeyKNWVJIVVLJCGLF-PSASIEDQSA-N
MW184.23 g/mol
LogP0.98
Rot. Bonds3

About (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol

(1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol (PubChem CID 166441322) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name(1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol
PubChem CID166441322
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol
SMILESC=C(OCC)C1=C[C@@H](O)C[C@@]1(C)O
InChIInChI=1S/C10H16O3/c1-4-13-7(2)9-5-8(11)6-10(9,3)12/h5,8,11-12H,2,4,6H2,1,3H3/t8-,10-/m1/s1
InChIKeyKNWVJIVVLJCGLF-PSASIEDQSA-N
XLogP0.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol?
The IUPAC name of (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol (CID 166441322) is (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol.
What is the SMILES notation for (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol?
The canonical SMILES for (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol is C=C(OCC)C1=C[C@@H](O)C[C@@]1(C)O.
What is the InChIKey of (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol?
The InChIKey is KNWVJIVVLJCGLF-PSASIEDQSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-13-7(2)9-5-8(11)6-10(9,3)12/h5,8,11-12H,2,4,6H2,1,3H3/t8-,10-/m1/s1.
What are the key properties of (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol?
(1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol has a molecular weight of 184.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-5-(1-ethoxyethenyl)-1-methylcyclopent-4-ene-1,3-diol is sourced from PubChem (CID 166441322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).