ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate

C14H18O3 — CID 11999994

IUPACethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate
SMILESCCOC(=O)/C=C\C[C@@](C)(O)c1ccccc1
InChIInChI=1S/C14H18O3/c1-3-17-13(15)10-7-11-14(2,16)12-8-5-4-6-9-12/h4-10,16H,3,11H2,1-2H3/b10-7-/t14-/m1/s1
InChIKeyGZNZTXJCIWPRAX-JKEYDSJLSA-N
MW234.29 g/mol
LogP2.40
Rot. Bonds5

About ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate

ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate (PubChem CID 11999994) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate.

Molecular Properties

Compound Nameethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate
PubChem CID11999994
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate
SMILESCCOC(=O)/C=C\C[C@@](C)(O)c1ccccc1
InChIInChI=1S/C14H18O3/c1-3-17-13(15)10-7-11-14(2,16)12-8-5-4-6-9-12/h4-10,16H,3,11H2,1-2H3/b10-7-/t14-/m1/s1
InChIKeyGZNZTXJCIWPRAX-JKEYDSJLSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z,5R)-5-hydroxy-5-(4-methylphenyl)hex-2-enoate
CID 134979599
ethyl (E)-5-methyl-6-oxo-5-phenylhex-2-enoate
CID 11459248
ethyl (E)-4-ethyl-4-phenylhex-2-enoate
CID 67597719
ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl (E)-4-(4-tert-butylphenyl)but-2-enoate
CID 72737572
2-ethoxycarbonyl-4-hydroxy-4-phenylpentanoic acid
CID 113360333
ethyl (E,5S)-5-amino-5-phenylpent-2-enoate
CID 134945701
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
ethyl (E)-4-(2-bromoanilino)but-2-enoate
CID 80546197
ethyl (E)-5-anilino-5-cyano-5-(4-methylphenyl)pent-2-enoate
CID 102289064
ethyl (E)-4-(4-tert-butylanilino)but-2-enoate
CID 80546458
ethyl (E)-4-(dibenzylamino)(213C)but-2-enoate
CID 11151051

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate?
The IUPAC name of ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate (CID 11999994) is ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate.
What is the SMILES notation for ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate?
The canonical SMILES for ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate is CCOC(=O)/C=C\C[C@@](C)(O)c1ccccc1.
What is the InChIKey of ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate?
The InChIKey is GZNZTXJCIWPRAX-JKEYDSJLSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-17-13(15)10-7-11-14(2,16)12-8-5-4-6-9-12/h4-10,16H,3,11H2,1-2H3/b10-7-/t14-/m1/s1.
What are the key properties of ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate?
ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate is sourced from PubChem (CID 11999994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).