methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate

C8H12O3 — CID 70607934

IUPACmethyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)C1C=CCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)7(9)6-4-2-3-5-6/h2,4,6-7,9H,3,5H2,1H3/t6?,7-/m1/s1
InChIKeyDGNOPYFCRYUGPB-COBSHVIPSA-N
MW156.18 g/mol
LogP0.49
Rot. Bonds2

About methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate

methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate (PubChem CID 70607934) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate
PubChem CID70607934
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)C1C=CCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)7(9)6-4-2-3-5-6/h2,4,6-7,9H,3,5H2,1H3/t6?,7-/m1/s1
InChIKeyDGNOPYFCRYUGPB-COBSHVIPSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate (CID 70607934) is methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate is COC(=O)[C@H](O)C1C=CCC1.
What is the InChIKey of methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate?
The InChIKey is DGNOPYFCRYUGPB-COBSHVIPSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)7(9)6-4-2-3-5-6/h2,4,6-7,9H,3,5H2,1H3/t6?,7-/m1/s1.
What are the key properties of methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate?
methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate has a molecular weight of 156.18 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate is sourced from PubChem (CID 70607934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).