[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

C100H94O20 — CID 161314193

IUPAC[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
SMILESC=C(C)C(=O)OCc1ccc(-c2ccc(COC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCc1ccc2cc(COC(=O)C(=C)C)ccc2c1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCc1ccc(-c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCc1ccc2cc(COC(=O)C=C)ccc2c1
InChIInChI=1S/C22H22O4.C20H18O4.C20H20O4.C20H18O4.C18H16O4/c1-15(2)21(23)25-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-26-22(24)16(3)4;1-13(2)19(21)23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24-20(22)14(3)4;1-13(2)19(21)23-11-15-5-7-18-10-16(6-8-17(18)9-15)12-24-20(22)14(3)4;1-3-19(21)23-13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-24-20(22)4-2;1-3-17(19)21-11-13-5-7-16-10-14(6-8-15(16)9-13)12-22-18(20)4-2/h5-12H,1,3,13-14H2,2,4H3;5-12H,1,3H2,2,4H3;5-10H,1,3,11-12H2,2,4H3;3-12H,1-2,13-14H2;3-10H,1-2,11-12H2
InChIKeyVJGYSLSPTMVYPL-UHFFFAOYSA-N
MW1615.83 g/mol
LogP20.10
Rot. Bonds31

About [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

[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 (PubChem CID 161314193) has the molecular formula C100H94O20 and a molecular weight of 1615.83 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161314193
Molecular FormulaC100H94O20
Molecular Weight1615.83 g/mol
Exact Mass1614.63
IUPAC Name[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
SMILESC=C(C)C(=O)OCc1ccc(-c2ccc(COC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCc1ccc2cc(COC(=O)C(=C)C)ccc2c1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCc1ccc(-c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCc1ccc2cc(COC(=O)C=C)ccc2c1
InChIInChI=1S/C22H22O4.C20H18O4.C20H20O4.C20H18O4.C18H16O4/c1-15(2)21(23)25-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-26-22(24)16(3)4;1-13(2)19(21)23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24-20(22)14(3)4;1-13(2)19(21)23-11-15-5-7-18-10-16(6-8-17(18)9-15)12-24-20(22)14(3)4;1-3-19(21)23-13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-24-20(22)4-2;1-3-17(19)21-11-13-5-7-16-10-14(6-8-15(16)9-13)12-22-18(20)4-2/h5-12H,1,3,13-14H2,2,4H3;5-12H,1,3H2,2,4H3;5-10H,1,3,11-12H2,2,4H3;3-12H,1-2,13-14H2;3-10H,1-2,11-12H2
InChIKeyVJGYSLSPTMVYPL-UHFFFAOYSA-N
XLogP20.10
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.83
LogP ≤ 520.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(C)C(=O)OCc1ccc(-c2ccc(COC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCc1ccc2cc(COC(=O)C(=C)C)ccc2c1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCc1ccc(-c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCc1ccc2cc(COC(=O)C=C)ccc2c1.
What is the InChIKey of [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?
The InChIKey is VJGYSLSPTMVYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4.C20H18O4.C20H20O4.C20H18O4.C18H16O4/c1-15(2)21(23)25-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-26-22(24)16(3)4;1-13(2)19(21)23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24-20(22)14(3)4;1-13(2)19(21)23-11-15-5-7-18-10-16(6-8-17(18)9-15)12-24-20(22)14(3)4;1-3-19(21)23-13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-24-20(22)4-2;1-3-17(19)21-11-13-5-7-16-10-14(6-8-15(16)9-13)12-22-18(20)4-2/h5-12H,1,3,13-14H2,2,4H3;5-12H,1,3H2,2,4H3;5-10H,1,3,11-12H2,2,4H3;3-12H,1-2,13-14H2;3-10H,1-2,11-12H2.
What are the key properties of [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?
[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 has a molecular weight of 1615.83 g/mol, XLogP of 20.10, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161314193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).