methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate

C9H14O3 — CID 11137554

IUPACmethyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@H]1C=CCCC1
InChIInChI=1S/C9H14O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h3,5,7-8,10H,2,4,6H2,1H3/t7-,8+/m0/s1
InChIKeyFQQIYADCIPQITJ-JGVFFNPUSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds2

About methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate

methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate (PubChem CID 11137554) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
PubChem CID11137554
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@H]1C=CCCC1
InChIInChI=1S/C9H14O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h3,5,7-8,10H,2,4,6H2,1H3/t7-,8+/m0/s1
InChIKeyFQQIYADCIPQITJ-JGVFFNPUSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
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-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate (CID 11137554) is methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate is COC(=O)[C@H](O)[C@H]1C=CCCC1.
What is the InChIKey of methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate?
The InChIKey is FQQIYADCIPQITJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h3,5,7-8,10H,2,4,6H2,1H3/t7-,8+/m0/s1.
What are the key properties of methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate?
methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate has a molecular weight of 170.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate is sourced from PubChem (CID 11137554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).