ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate

C14H24O4 — CID 23778511

IUPACethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate
SMILESC=C[C@@H](C(O)C(=O)OCC)C(O)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-3-11(13(16)14(17)18-4-2)12(15)10-8-6-5-7-9-10/h3,10-13,15-16H,1,4-9H2,2H3/t11-,12?,13?/m1/s1
InChIKeyAGCFBKBTZVPOAS-PNESKVBLSA-N
MW256.34 g/mol
LogP1.65
Rot. Bonds6

About ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate

ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate (PubChem CID 23778511) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate.

Molecular Properties

Compound Nameethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate
PubChem CID23778511
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate
SMILESC=C[C@@H](C(O)C(=O)OCC)C(O)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-3-11(13(16)14(17)18-4-2)12(15)10-8-6-5-7-9-10/h3,10-13,15-16H,1,4-9H2,2H3/t11-,12?,13?/m1/s1
InChIKeyAGCFBKBTZVPOAS-PNESKVBLSA-N
XLogP1.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate 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

diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 3-cycloheptyl-2-formamido-3-hydroxypropanoate
CID 66205924
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
ethyl (E,4S,5R)-4-bromo-5-cyclohexyl-5-hydroxypent-2-enoate
CID 102070633
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 2-cycloheptyl-2-formamidoacetate
CID 163197902

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate?
The IUPAC name of ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate (CID 23778511) is ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate.
What is the SMILES notation for ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate?
The canonical SMILES for ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate is C=C[C@@H](C(O)C(=O)OCC)C(O)C1CCCCC1.
What is the InChIKey of ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate?
The InChIKey is AGCFBKBTZVPOAS-PNESKVBLSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-11(13(16)14(17)18-4-2)12(15)10-8-6-5-7-9-10/h3,10-13,15-16H,1,4-9H2,2H3/t11-,12?,13?/m1/s1.
What are the key properties of ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate?
ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate has a molecular weight of 256.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate is sourced from PubChem (CID 23778511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).