[2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate

C19H24O5 — CID 122496099

IUPAC[2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate
SMILESC=C(C)CCC(=O)OCc1ccccc1COC(=O)CCC(C)=O
InChIInChI=1S/C19H24O5/c1-14(2)8-10-18(21)23-12-16-6-4-5-7-17(16)13-24-19(22)11-9-15(3)20/h4-7H,1,8-13H2,2-3H3
InChIKeyHCNWOVSGSHASKN-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.50
Rot. Bonds10

About [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate

[2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate (PubChem CID 122496099) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate.

Molecular Properties

Compound Name[2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate
PubChem CID122496099
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name[2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate
SMILESC=C(C)CCC(=O)OCc1ccccc1COC(=O)CCC(C)=O
InChIInChI=1S/C19H24O5/c1-14(2)8-10-18(21)23-12-16-6-4-5-7-17(16)13-24-19(22)11-9-15(3)20/h4-7H,1,8-13H2,2-3H3
InChIKeyHCNWOVSGSHASKN-UHFFFAOYSA-N
XLogP3.50
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-oxobutanoyloxymethyl)phenyl]methyl 3-oxobutanoate
CID 70128159
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013
(2-ethylphenyl)methyl 3-[3-[(2-ethylphenyl)methoxy]-3-oxopropyl]sulfanylpropanoate
CID 154411294
bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
methyl 2-[2-(3-methylbut-3-enoxymethyl)phenyl]acetate
CID 114469955
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
benzyl 12-oxotridecanoate
CID 21035822
(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
CID 62050226
5-methyl-1-(2-methylphenyl)hex-5-en-2-one
CID 114473510

Frequently Asked Questions

What is the IUPAC name of [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate?
The IUPAC name of [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate (CID 122496099) is [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate.
What is the SMILES notation for [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate?
The canonical SMILES for [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate is C=C(C)CCC(=O)OCc1ccccc1COC(=O)CCC(C)=O.
What is the InChIKey of [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate?
The InChIKey is HCNWOVSGSHASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-14(2)8-10-18(21)23-12-16-6-4-5-7-17(16)13-24-19(22)11-9-15(3)20/h4-7H,1,8-13H2,2-3H3.
What are the key properties of [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate?
[2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate has a molecular weight of 332.40 g/mol, XLogP of 3.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate is sourced from PubChem (CID 122496099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).