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

C13H16O3 — CID 10082195

IUPACmethyl (Z,4R)-4-phenylmethoxypent-2-enoate
SMILESCOC(=O)/C=C\[C@@H](C)OCc1ccccc1
InChIInChI=1S/C13H16O3/c1-11(8-9-13(14)15-2)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-/t11-/m1/s1
InChIKeyHQXFTCDXKMAFJW-TYBABMIJSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds5

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

methyl (Z,4R)-4-phenylmethoxypent-2-enoate (PubChem CID 10082195) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (Z,4R)-4-phenylmethoxypent-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R)-4-phenylmethoxypent-2-enoate
PubChem CID10082195
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl (Z,4R)-4-phenylmethoxypent-2-enoate
SMILESCOC(=O)/C=C\[C@@H](C)OCc1ccccc1
InChIInChI=1S/C13H16O3/c1-11(8-9-13(14)15-2)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-/t11-/m1/s1
InChIKeyHQXFTCDXKMAFJW-TYBABMIJSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
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

methyl (E,4R,5S)-4-hydroxy-5-phenylmethoxyhex-2-enoate
CID 102198306
methyl (E,4R)-8-hydroxy-4-phenylmethoxyoct-2-enoate
CID 11832740
methyl (Z,4R,5R,7R)-7,8-dihydroxy-4-methyl-5-phenylmethoxyoct-2-enoate
CID 10913862
methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate
CID 25128686
methyl (E,4S,5R,6R)-4,6-dihydroxy-5,7-bis(phenylmethoxy)hept-2-enoate
CID 11417789
methyl (2Z,4S,5S,6E,8S,9S)-5,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxydeca-2,6-dienoate
CID 66572585
methyl (E,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxybut-2-enoate
CID 11716472
methyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-7-phenylmethoxyhept-2-enoate
CID 72723656
methyl (Z,4S,5S,6R)-4,5,6-tris(phenylmethoxy)-7,7-bis(propylsulfanyl)hept-2-enoate
CID 101131344
(E)-4-phenylmethoxypent-2-enal
CID 59042461
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
methyl (E,4R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-2-enoate
CID 71547180

Frequently Asked Questions

What is the IUPAC name of methyl (Z,4R)-4-phenylmethoxypent-2-enoate?
The IUPAC name of methyl (Z,4R)-4-phenylmethoxypent-2-enoate (CID 10082195) is methyl (Z,4R)-4-phenylmethoxypent-2-enoate.
What is the SMILES notation for methyl (Z,4R)-4-phenylmethoxypent-2-enoate?
The canonical SMILES for methyl (Z,4R)-4-phenylmethoxypent-2-enoate is COC(=O)/C=C\[C@@H](C)OCc1ccccc1.
What is the InChIKey of methyl (Z,4R)-4-phenylmethoxypent-2-enoate?
The InChIKey is HQXFTCDXKMAFJW-TYBABMIJSA-N. The full InChI is InChI=1S/C13H16O3/c1-11(8-9-13(14)15-2)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-/t11-/m1/s1.
What are the key properties of methyl (Z,4R)-4-phenylmethoxypent-2-enoate?
methyl (Z,4R)-4-phenylmethoxypent-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R)-4-phenylmethoxypent-2-enoate is sourced from PubChem (CID 10082195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).