ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate

C13H20O3 — CID 15506006

IUPACethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate
SMILESCCOC(=O)[C@H](O)CC#CC1CCCCC1
InChIInChI=1S/C13H20O3/c1-2-16-13(15)12(14)10-6-9-11-7-4-3-5-8-11/h11-12,14H,2-5,7-8,10H2,1H3/t12-/m1/s1
InChIKeySZLZWHNHTYRDDN-GFCCVEGCSA-N
MW224.30 g/mol
LogP1.88
Rot. Bonds3

About ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate

ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate (PubChem CID 15506006) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate.

Molecular Properties

Compound Nameethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate
PubChem CID15506006
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate
SMILESCCOC(=O)[C@H](O)CC#CC1CCCCC1
InChIInChI=1S/C13H20O3/c1-2-16-13(15)12(14)10-6-9-11-7-4-3-5-8-11/h11-12,14H,2-5,7-8,10H2,1H3/t12-/m1/s1
InChIKeySZLZWHNHTYRDDN-GFCCVEGCSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopropylprop-2-ynyl ethyl carbonate
CID 164513829
ethyl 2-hydroxydec-4-ynoate
CID 101225070
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
3-bromoprop-1-ynylcyclopropane;ethyl 5-cyclopropyl-2-(2,2,2-trifluoroethyl)pent-4-ynoate
CID 159209018
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-hydroxybutanoate
CID 521365
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
diethyl 2-(2-chlorocyclohexyl)propanedioate
CID 70632513

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate?
The IUPAC name of ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate (CID 15506006) is ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate.
What is the SMILES notation for ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate?
The canonical SMILES for ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate is CCOC(=O)[C@H](O)CC#CC1CCCCC1.
What is the InChIKey of ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate?
The InChIKey is SZLZWHNHTYRDDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-16-13(15)12(14)10-6-9-11-7-4-3-5-8-11/h11-12,14H,2-5,7-8,10H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate?
ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate has a molecular weight of 224.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate is sourced from PubChem (CID 15506006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).