[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate

C28H22O4 — CID 58341857

IUPAC[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)C(=C)C)ccc2ccccc12
InChIInChI=1S/C28H22O4/c1-17(2)27(29)31-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)32-28(30)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyVNIKVAAFOSNAHB-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.62
Rot. Bonds5

About [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate

[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 58341857) has the molecular formula C28H22O4 and a molecular weight of 422.48 g/mol. Its IUPAC name is [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID58341857
Molecular FormulaC28H22O4
Molecular Weight422.48 g/mol
Exact Mass422.15
IUPAC Name[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)C(=C)C)ccc2ccccc12
InChIInChI=1S/C28H22O4/c1-17(2)27(29)31-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)32-28(30)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyVNIKVAAFOSNAHB-UHFFFAOYSA-N
XLogP6.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54525389
CID 58090275
CID 58090275
fluoranthen-1-yl 2-methylprop-2-enoate
CID 164546772
[1-(2-butanoyloxynaphthalen-1-yl)naphthalen-2-yl] butanoate
CID 11004443
2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)
CID 86743802
(9-anthracen-1-ylanthracen-1-yl) 2-methylprop-2-enoate
CID 155226956
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
[1-(2,3-diacetyloxy-4-bromonaphthalen-1-yl)naphthalen-2-yl] acetate
CID 10625421

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate (CID 58341857) is [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)C(=C)C)ccc2ccccc12.
What is the InChIKey of [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is VNIKVAAFOSNAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O4/c1-17(2)27(29)31-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)32-28(30)18(3)4/h5-16H,1,3H2,2,4H3.
What are the key properties of [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate?
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 422.48 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 58341857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).