[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate

C20H20O4 — CID 139921074

IUPAC[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2ccc(COC(=O)C(=C)C)cc2c1
InChIInChI=1S/C20H20O4/c1-13(2)19(21)23-11-15-5-7-17-8-6-16(10-18(17)9-15)12-24-20(22)14(3)4/h5-10H,1,3,11-12H2,2,4H3
InChIKeyZVXUWOXWXKCWCA-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.08
Rot. Bonds6

About [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate

[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 139921074) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
PubChem CID139921074
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2ccc(COC(=O)C(=C)C)cc2c1
InChIInChI=1S/C20H20O4/c1-13(2)19(21)23-11-15-5-7-17-8-6-16(10-18(17)9-15)12-24-20(22)14(3)4/h5-10H,1,3,11-12H2,2,4H3
InChIKeyZVXUWOXWXKCWCA-UHFFFAOYSA-N
XLogP4.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
CID 142524657
[4-(4-bromophenyl)phenyl]methyl 2-methylprop-2-enoate
CID 140797428
[4-[3-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 139921070
[3-(2-methylprop-2-enoyloxymethyl)phenyl]boronic acid
CID 162702390
[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 139641232
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193

Frequently Asked Questions

What is the IUPAC name of [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate (CID 139921074) is [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc2ccc(COC(=O)C(=C)C)cc2c1.
What is the InChIKey of [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is ZVXUWOXWXKCWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-13(2)19(21)23-11-15-5-7-17-8-6-16(10-18(17)9-15)12-24-20(22)14(3)4/h5-10H,1,3,11-12H2,2,4H3.
What are the key properties of [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate?
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 139921074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).