ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate

C15H20O3 — CID 11253675

IUPACethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
SMILESCCOC(=O)/C=C\[C@@H](C)COCc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-18-15(16)10-9-13(2)11-17-12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3/b10-9-/t13-/m1/s1
InChIKeyFDXBHIQEVCGYKB-ASCRHOAZSA-N
MW248.32 g/mol
LogP2.96
Rot. Bonds7

About ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate

ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate (PubChem CID 11253675) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
PubChem CID11253675
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
SMILESCCOC(=O)/C=C\[C@@H](C)COCc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-18-15(16)10-9-13(2)11-17-12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3/b10-9-/t13-/m1/s1
InChIKeyFDXBHIQEVCGYKB-ASCRHOAZSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,4R,5R,6S)-5-hydroxy-4,6-dimethyl-7-phenylmethoxyhept-2-enoate
CID 10614616
ethyl (E,4S)-4-methyl-6-(phenylmethoxymethoxy)hex-2-enoate
CID 10957295
ethyl (E,4S,5S,6S,7R,8R)-5,7-dihydroxy-4,6,8-trimethyl-9-phenylmethoxynon-2-enoate
CID 11132255
ethyl (E,4S,5R)-5-hydroxy-4-methyl-7-phenylmethoxyhept-2-enoate
CID 101420262
ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypent-2-enoate
CID 134864361
ethyl (Z,4R,5S)-6-oxo-4,5,7-tris(phenylmethoxy)hept-2-enoate
CID 11488687
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739
ethyl (E,4R,5R)-5-(4-methoxyanilino)-4,6-bis(phenylmethoxy)hex-2-enoate
CID 102178394
ethyl (E,4R)-4-[methoxy(phenylmethoxycarbonyl)amino]pent-2-enoate
CID 122232290
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
ethyl (2E,6Z)-8-phenylmethoxyocta-2,6-dienoate
CID 10084732
ethyl (E)-4-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]but-2-enoate
CID 171060040

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate?
The IUPAC name of ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate (CID 11253675) is ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate.
What is the SMILES notation for ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate?
The canonical SMILES for ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate is CCOC(=O)/C=C\[C@@H](C)COCc1ccccc1.
What is the InChIKey of ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate?
The InChIKey is FDXBHIQEVCGYKB-ASCRHOAZSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-18-15(16)10-9-13(2)11-17-12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3/b10-9-/t13-/m1/s1.
What are the key properties of ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate?
ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate is sourced from PubChem (CID 11253675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).