ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate

C18H24O5 — CID 15882850

IUPACethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate
SMILESCCOC(=O)/C(C)=C1/CC[C@H]([C@@H](O)COCc2ccccc2)O1
InChIInChI=1S/C18H24O5/c1-3-22-18(20)13(2)16-9-10-17(23-16)15(19)12-21-11-14-7-5-4-6-8-14/h4-8,15,17,19H,3,9-12H2,1-2H3/b16-13-/t15-,17+/m0/s1
InChIKeyWJRMVYDKGOCKHR-QUBPTDRESA-N
MW320.38 g/mol
LogP2.58
Rot. Bonds7

About ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate

ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate (PubChem CID 15882850) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate
PubChem CID15882850
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Nameethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate
SMILESCCOC(=O)/C(C)=C1/CC[C@H]([C@@H](O)COCc2ccccc2)O1
InChIInChI=1S/C18H24O5/c1-3-22-18(20)13(2)16-9-10-17(23-16)15(19)12-21-11-14-7-5-4-6-8-14/h4-8,15,17,19H,3,9-12H2,1-2H3/b16-13-/t15-,17+/m0/s1
InChIKeyWJRMVYDKGOCKHR-QUBPTDRESA-N
XLogP2.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
CID 134303215
ethyl (E,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxyhept-2-enoate
CID 11099256
ethyl (2S,3S)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958276
ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958275
(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one
CID 66645562
ethyl (3R,5R)-3,5-dihydroxy-6-phenylmethoxyhexanoate
CID 102254897
ethyl 6-phenylmethoxy-2-propan-2-ylhex-2-enoate
CID 90826355
ethyl (4S,5S,6R,7R,8S,9R,10R,11R,12R)-5,7,9,11-tetrahydroxy-2,4,6,8,10,12-hexamethyl-13-phenylmethoxytridec-2-enoate
CID 57360752
benzyl 3-(1-hydroxy-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 143016187
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate?
The IUPAC name of ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate (CID 15882850) is ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate.
What is the SMILES notation for ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate?
The canonical SMILES for ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate is CCOC(=O)/C(C)=C1/CC[C@H]([C@@H](O)COCc2ccccc2)O1.
What is the InChIKey of ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate?
The InChIKey is WJRMVYDKGOCKHR-QUBPTDRESA-N. The full InChI is InChI=1S/C18H24O5/c1-3-22-18(20)13(2)16-9-10-17(23-16)15(19)12-21-11-14-7-5-4-6-8-14/h4-8,15,17,19H,3,9-12H2,1-2H3/b16-13-/t15-,17+/m0/s1.
What are the key properties of ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate?
ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate has a molecular weight of 320.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate is sourced from PubChem (CID 15882850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).