[(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

C20H24O5 — CID 10066093

IUPAC[(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
SMILESC/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3/b8-7+,15-5-,17-6-
InChIKeyKRXLVSZOLMEYHF-SUOLFYLESA-N
MW344.41 g/mol
LogP3.71
Rot. Bonds8

About [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

[(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate (PubChem CID 10066093) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate.

Molecular Properties

Compound Name[(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
PubChem CID10066093
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name[(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
SMILESC/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3/b8-7+,15-5-,17-6-
InChIKeyKRXLVSZOLMEYHF-SUOLFYLESA-N
XLogP3.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
CID 101380473
2-[3-(4-methoxyphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 57005653
ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
CID 134116743
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate
CID 164678564
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
CID 23630652
1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
CID 14919714

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate?
The IUPAC name of [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate (CID 10066093) is [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate.
What is the SMILES notation for [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate?
The canonical SMILES for [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate is C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)cc1.
What is the InChIKey of [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate?
The InChIKey is KRXLVSZOLMEYHF-SUOLFYLESA-N. The full InChI is InChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3/b8-7+,15-5-,17-6-.
What are the key properties of [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate?
[(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-methoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate is sourced from PubChem (CID 10066093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).