[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate

C28H22O5 — CID 58069127

IUPAC[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2cc(Oc3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1
InChIInChI=1S/C28H22O5/c1-17(2)27(29)32-25-11-7-19-13-23(9-5-21(19)15-25)31-24-10-6-22-16-26(12-8-20(22)14-24)33-28(30)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyCUZTWGQHQUKQTI-UHFFFAOYSA-N
MW438.48 g/mol
LogP6.75
Rot. Bonds6

About [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate

[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 58069127) has the molecular formula C28H22O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID58069127
Molecular FormulaC28H22O5
Molecular Weight438.48 g/mol
Exact Mass438.15
IUPAC Name[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2cc(Oc3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1
InChIInChI=1S/C28H22O5/c1-17(2)27(29)32-25-11-7-19-13-23(9-5-21(19)15-25)31-24-10-6-22-16-26(12-8-20(22)14-24)33-28(30)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyCUZTWGQHQUKQTI-UHFFFAOYSA-N
XLogP6.75
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
CID 123192484
N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 160791360
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
[6-(3-methoxy-3-oxoprop-1-enyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54241956
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
[3-(4-nitrophenoxy)phenyl] 2-methylprop-2-enoate
CID 132783195
[6-[N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58520173
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 68830864

Frequently Asked Questions

What is the IUPAC name of [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate (CID 58069127) is [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2cc(Oc3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1.
What is the InChIKey of [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is CUZTWGQHQUKQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O5/c1-17(2)27(29)32-25-11-7-19-13-23(9-5-21(19)15-25)31-24-10-6-22-16-26(12-8-20(22)14-24)33-28(30)18(3)4/h5-16H,1,3H2,2,4H3.
What are the key properties of [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 438.48 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 58069127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).