ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate

C12H20O3 — CID 134992658

IUPACethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate
SMILESC=C(C)[C@H]1CCCCC1(O)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-4-15-11(13)12(14)8-6-5-7-10(12)9(2)3/h10,14H,2,4-8H2,1,3H3/t10-,12?/m1/s1
InChIKeyOVHUUKWXXCMSAO-RWANSRKNSA-N
MW212.29 g/mol
LogP2.05
Rot. Bonds3

About ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate

ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate (PubChem CID 134992658) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate
PubChem CID134992658
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate
SMILESC=C(C)[C@H]1CCCCC1(O)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-4-15-11(13)12(14)8-6-5-7-10(12)9(2)3/h10,14H,2,4-8H2,1,3H3/t10-,12?/m1/s1
InChIKeyOVHUUKWXXCMSAO-RWANSRKNSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate?
The IUPAC name of ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate (CID 134992658) is ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate is C=C(C)[C@H]1CCCCC1(O)C(=O)OCC.
What is the InChIKey of ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate?
The InChIKey is OVHUUKWXXCMSAO-RWANSRKNSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-15-11(13)12(14)8-6-5-7-10(12)9(2)3/h10,14H,2,4-8H2,1,3H3/t10-,12?/m1/s1.
What are the key properties of ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate?
ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 134992658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).